smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CCc1cccc(Cl)c1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217598157 VFGARDOAMYBHGN-RUZDIDTESA-N 441.015 4.945 70 40 IJIB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218489699 MPVSDRIBINFVMT-CYBMUJFWSA-N 443.396 4.911 70 40 IJIB O=C(Cc1c(F)cccc1Cl)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217599884 UTYBOYIGQGMKQQ-NRFANRHFSA-N 444.978 4.694 70 40 IJIB O=C(CCc1cccc(OCc2ccccc2)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 217672082 PJHAFIIPCYYACG-UHFFFAOYSA-N 438.531 4.540 70 40 IJIB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C 218524953 VCKBCZCMDAQXGU-HXUWFJFHSA-N 434.989 4.622 70 40 IJIB Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218144223 DINBGHBNIZUVHO-CYBMUJFWSA-N 432.343 4.605 70 40 IJIB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)n(C)n2)c1 217494219 JISHTOORTDGVAG-GOSISDBHSA-N 437.515 4.653 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C 218310426 UXBWSASKARQQIA-FQEVSTJZSA-N 436.577 4.761 70 40 IJIB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 218591724 PDRMOGFIRCXXAH-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB CC1(C)C[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc2O1 218573142 SKODHYIHUDAHHU-NRFANRHFSA-N 436.533 4.520 70 40 IJIB CCOc1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1OCC 218195030 WGWICIHZHOTALR-UHFFFAOYSA-N 438.387 4.796 70 40 IJIB Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCCC1 218517699 OUVPFEOAVWCUPU-UHFFFAOYSA-N 449.016 4.576 70 40 IJIB CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218748118 CENKJGBLLWEKPA-QFIPXVFZSA-N 430.614 4.734 70 40 IJIB Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 218507097 HQZRZWVQBRQTJC-UHFFFAOYSA-N 442.625 4.656 70 40 IJIB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccccc1Cl 218630256 UNJNONGPJUJILH-UHFFFAOYSA-N 449.016 4.576 70 40 IJIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccc(Cl)cc1 218583794 UQNZCFZPFPFAKH-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C 218493451 NQWQWNAOADFRIE-CABCVRRESA-N 443.396 4.642 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 218349333 OCEVOXARSZPCNU-FQEVSTJZSA-N 436.577 4.928 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218349910 TUJOAMAHJXKEEY-HXUWFJFHSA-N 436.577 4.928 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C 218557965 RMNCEZRKTQHIIE-GOSISDBHSA-N 437.005 4.689 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)c(C)c1 218633428 HGVLPKMBZYIYDW-DEOSSOPVSA-N 442.625 4.914 70 40 IJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 218310070 ZEHGEVCKTGJFLH-FQEVSTJZSA-N 436.577 4.761 70 40 IJIB CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 218491248 DUBVNLBSIKEIBR-ZDUSSCGKSA-N 445.368 4.574 70 40 IJIB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C 218525043 VCKBCZCMDAQXGU-FQEVSTJZSA-N 434.989 4.622 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCc2ccccc2Cl)cc1 218413844 XSQZFHCIORBTAX-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1C 218637957 KHIUQRREYHROSF-GOSISDBHSA-N 449.016 4.868 70 40 IJIB O=C(CSCc1c(F)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 218205247 DOZYCYJIZAKJDQ-UHFFFAOYSA-N 426.300 4.732 70 40 IJIB Cc1ccc(C(=O)C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 96022882 PVAVNVDRCRZCRA-UHFFFAOYSA-N 436.491 4.852 70 40 IJIB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218064103 YMAWBRWOMAZXKS-ZDUSSCGKSA-N 432.343 4.638 70 40 IJIB Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCCC1 218516836 YTLHNBBLUJIPSO-UHFFFAOYSA-N 430.570 4.599 70 40 IJIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 218506498 NCTNNNVZVHSGEL-JOCHJYFZSA-N 428.598 4.668 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1C 218636358 WJLKRPLPVHHBBC-QGZVFWFLSA-N 434.989 4.622 70 40 IJIB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 218517775 UOJAMJDAGWFKSY-UHFFFAOYSA-N 449.016 4.576 70 40 IJIB CC(C)c1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 218407965 MNHJTIXCOSYMTD-UHFFFAOYSA-N 436.577 4.973 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 217995659 DFLXNCAJPDHZEV-ZDUSSCGKSA-N 447.944 4.546 70 40 IJIB O=C(NCCCc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 218572284 CEOCCMIFONHLFN-UHFFFAOYSA-N 428.941 4.503 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1 218167026 WDWSQNPWAPXZQF-UHFFFAOYSA-N 429.476 4.693 70 40 IJIB CSc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 218488813 WKZCKVIRUBBGBV-NSHDSACASA-N 433.382 4.509 70 40 IJIB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccc(Cl)cc1 218630316 UENKGIACJHZCED-UHFFFAOYSA-N 449.016 4.576 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)cc1C 218635724 LIOXMOQWSNGFFY-OAQYLSRUSA-N 434.989 4.622 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 218518661 NHEILHNJBFQFEQ-HXUWFJFHSA-N 428.598 4.668 70 40 IJIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1Cl 217857146 NKCWEVKOFOJCME-UHFFFAOYSA-N 427.085 4.736 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)cc1C 218633528 BMSDALZWQMWLHY-XMMPIXPASA-N 442.625 4.914 70 40 IJIB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OCC 217165981 ITRYKSFDGNGWJH-LFTLAFEGSA-N 448.519 4.725 70 40 IJIB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)n(C)n2)c1 217494124 JISHTOORTDGVAG-SFHVURJKSA-N 437.515 4.653 70 40 IJIB COc1cc(CNC(=O)CSCc2ccc(Br)cc2)ccc1OC(C)C 218195127 SQNMCEMYPUCMAZ-UHFFFAOYSA-N 438.387 4.795 70 40 IJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 218526070 HROGSIPWAYDALY-KRWDZBQOSA-N 434.989 4.622 70 40 IJIB O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104111488 JZLWBUMASAFVPA-UHFFFAOYSA-N 436.488 4.571 70 40 IJIB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218064027 YMAWBRWOMAZXKS-CYBMUJFWSA-N 432.343 4.638 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)c(C)c1 218635547 NRSZKZHXOPFDAQ-OAQYLSRUSA-N 434.989 4.622 70 40 IJIB CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 218198486 BIXGTSSZKSORTI-QGZVFWFLSA-N 438.387 4.967 70 40 IJIB O=C(CSCc1ccc(Br)cc1)NCCCN1CCCc2ccccc21 218199799 YTXYYBHDKNVGFB-UHFFFAOYSA-N 433.415 4.641 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1 218331774 DTUWTENMJSPQHT-FQEVSTJZSA-N 436.577 4.928 70 40 IJIB CC(=O)C(/N=N/c1ccccc1)=P(N=S(C)(C)=O)(c1ccccc1)c1ccccc1 100686327 WPRVBFASTKMVJD-OCOZRVBESA-N 437.505 4.800 70 40 IJIB COc1cccc2cc(C(=O)N(C)Cc3nc(-c4cccc(Br)c4)no3)oc12 218619963 NWOSMFXMQLRIST-UHFFFAOYSA-N 442.269 4.526 70 40 IJIB O=S(=O)(F)c1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 104135017 YTWHKEYJCOAQCC-UHFFFAOYSA-N 436.488 4.571 70 40 IJIB O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 218079104 MEGFZELZCXHENM-UHFFFAOYSA-N 439.603 4.818 70 40 IJIB O=C(NCCCc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 218410237 DJHGYSFDCMGCAY-UHFFFAOYSA-N 428.941 4.503 70 40 IJIB Cc1nc2ccc(C(=O)N3CCC(N4CCC[C@H]4COCc4ccccc4)CC3)cc2s1 217598980 IWDUYDPFIAKQKO-QHCPKHFHSA-N 449.620 4.891 70 40 IJIB O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 218525520 XJNPSFQEAZTYPQ-UHFFFAOYSA-N 446.878 4.786 70 40 IJIB CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C 218560394 KTTQQAQBMRVEJF-HSZRJFAPSA-N 430.614 4.734 70 40 IJIB O=C(c1ccccc1Br)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217796384 RTMYTBINVXPUKO-AWEZNQCLSA-N 444.304 4.733 70 40 IJIB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 218747330 BJEIXVICJPEJFT-UHFFFAOYSA-N 444.597 4.810 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(F)cc3)c2C)cc1 218585629 IYTGHSXNJVBFCY-UHFFFAOYSA-N 440.540 4.606 70 40 IJIB COc1cccc(NC(=O)N2CCS[C@H]2c2ccc(OC(F)(F)F)cc2)c1OC 217644768 SRXIFFXJXZLUAS-KRWDZBQOSA-N 428.432 4.882 70 40 IJIB Cc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Br 216950496 QCGIQNAFXWJPEI-UHFFFAOYSA-N 447.373 4.556 70 40 IJIB O=C(Nc1cccc2c1CCCC2)c1nnn(Cc2ccccc2F)c1-c1ccncc1 217472593 UTTHUYVEMUABLO-UHFFFAOYSA-N 427.483 4.659 70 40 IJIB Cc1ccc(C)c(N(CCCC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218748324 PGAGCEHOJGAHNZ-UHFFFAOYSA-N 444.641 4.722 70 40 IJIB CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 218198554 BIXGTSSZKSORTI-KRWDZBQOSA-N 438.387 4.967 70 40 IJIB CCCSC1=NC(C)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 334158904 QJCSMCLOBWWRAP-UHFFFAOYSA-N 444.540 4.653 70 40 IJIB CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 218490983 OYVIHRLTUXAUIG-CYBMUJFWSA-N 445.368 4.574 70 40 IJIB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217907154 LVAJSZIPURXYJK-DWAZAOQOSA-N 430.932 4.870 70 40 IJIB CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218555820 ZPMJCCSHFGEMID-PXNSSMCTSA-N 437.005 4.687 70 40 IJIB COc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc54)o3)n2)c(OC)c1 218501209 LJJTVVGLHZHAIT-UHFFFAOYSA-N 429.432 4.583 70 40 IJIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccc(C(C)C)cc1 218627516 RACVOIBCKWYSTN-UHFFFAOYSA-N 442.625 4.656 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)cc1C 218627120 YOPIHOZVKKBCBL-HSZRJFAPSA-N 428.598 4.668 70 40 IJIB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 217637829 LVKGHLGEIZLFGS-NOKWSWOQSA-N 431.330 4.627 70 40 IJIB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218523891 PIAIEWPOEGPTCA-UHFFFAOYSA-N 448.972 4.698 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1C 218526363 LUMODTXNKLXKHG-KRWDZBQOSA-N 434.989 4.622 70 40 IJIB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218075697 MJLJGYKZXABVJO-AWEZNQCLSA-N 446.370 4.779 70 40 IJIB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccc(Cl)cc1 218651846 BQLMPAOOCAXGOT-UHFFFAOYSA-N 442.968 4.531 70 40 IJIB CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 218491178 DUBVNLBSIKEIBR-CYBMUJFWSA-N 445.368 4.574 70 40 IJIB COc1ccccc1NC(=O)C[C@@H]1C(=O)N([C@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21 217810582 AWIKYMLKYWIXID-HBCLNWRISA-N 446.551 4.786 70 40 IJIB O=C(CSc1ccc(F)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217798362 DPHSCFQVBBNAEH-HNNXBMFYSA-N 429.492 4.588 70 40 IJIB O=C(CCc1cccc(Cl)c1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217598070 VFGARDOAMYBHGN-VWLOTQADSA-N 441.015 4.945 70 40 IJIB Cc1cc(=O)oc2c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 217475416 WWVLBBZPMAUHJQ-CALCHBBNSA-N 429.513 4.646 70 40 IJIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 218484295 IBZPPIINBRQDAZ-HNNXBMFYSA-N 438.977 4.574 70 40 IJIB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490151 BZZXAKWBBOWHJL-ZDUSSCGKSA-N 429.369 4.657 70 40 IJIB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 218078789 YMMDXAIOLWIZQC-UHFFFAOYSA-N 444.560 4.629 70 40 IJIB Cc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl 218488359 HVMOGWYHKVAPOP-LLVKDONJSA-N 435.760 4.748 70 40 IJIB Cc1ccc(CCC(=O)N2CCC(N3CCC[C@@H]3COCc3ccccc3)CC2)cc1C 217598280 OTVATHQPZDBSTP-HHHXNRCGSA-N 434.624 4.908 70 40 IJIB CC(C)c1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 218635998 RXHKTOZWAYOTJR-UHFFFAOYSA-N 449.016 4.611 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccc(OC(C)C)c2)cc1 218413565 KMABLCHPMAXVGB-UHFFFAOYSA-N 438.549 4.513 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)c1 217909741 GIURMMIMWRZKPK-WEVVVXLNSA-N 448.306 4.732 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1C 218631195 DKBDDCZONGNTSV-FQEVSTJZSA-N 428.598 4.668 70 40 IJIB O=C(CCSc1ccccc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217798891 KFMCFPFLSKBFGE-QGZVFWFLSA-N 425.529 4.839 70 40 IJIB CC1(C)C[C@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc2O1 218411350 SPRQEEIVBXRXPE-NRFANRHFSA-N 436.533 4.520 70 40 IJIB Cc1ccc(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 218093098 GPGIKXQSQGBULY-SANMLTNESA-N 446.572 4.578 70 40 IJIB O=C(CSCc1ccccc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217591275 XOVHXONVIXVGKU-UHFFFAOYSA-N 442.600 4.593 70 40 IJIB CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218555659 ZPMJCCSHFGEMID-XLIONFOSSA-N 437.005 4.687 70 40 IJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 218517618 LHFXUKJALHCVCL-FQEVSTJZSA-N 428.598 4.668 70 40 IJIB CN(c1ccccc1C(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 218347170 DOYJMTJONPMVNI-UHFFFAOYSA-N 442.968 4.528 70 40 IJIB Cc1ccc(N(CCCC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 218560830 GUUQZGLCRJLZCS-UHFFFAOYSA-N 444.641 4.722 70 40 IJIB O=C(CCCC(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1)c1ccccc1 217597894 ZVVMHVSSDLDMSP-SANMLTNESA-N 448.607 4.712 70 40 IJIB Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218144144 DINBGHBNIZUVHO-ZDUSSCGKSA-N 432.343 4.605 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)c(C)c1 218627013 IOPKDQCPFLFYJZ-QHCPKHFHSA-N 428.598 4.668 70 40 IJIB O=C(NCCCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 218572407 HPWPEVICEUZNTN-UHFFFAOYSA-N 428.941 4.503 70 40 IJIB Cc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 218388253 SEMGMCORHZDZPD-GOSISDBHSA-N 442.968 4.721 70 40 IJIB Cc1ccc(CCC(=O)N2CCC(N3CCC[C@H]3COCc3ccccc3)CC2)cc1C 217598378 OTVATHQPZDBSTP-MHZLTWQESA-N 434.624 4.908 70 40 IJIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccccc1Cl 217903685 AXBVIIBVBWTPOK-MDZDMXLPSA-N 432.705 4.824 70 40 IJIB CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218555998 JYTLQDOZKDOZPR-XLIONFOSSA-N 437.005 4.687 70 40 IJIB CC(C)(C)[C@H]1CC[C@](CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)(n2cccc2)CC1 217565005 HHUBVOMUZLNONT-JLFWUPFSSA-N 435.612 4.617 70 40 IJIB Cc1ccc(SCCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218151411 URKBLTPGUJCJCH-UHFFFAOYSA-N 432.343 4.606 70 40 IJIB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 218297410 YSVKKAYKFRAFLF-UHFFFAOYSA-N 432.561 4.559 70 40 IJIB Cc1cc(C)c(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 218489570 DXHISOTUTSGQSU-AWEZNQCLSA-N 429.369 4.712 70 40 IJIB CC(C)C[C@H](NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)c1nnc2ccccn12 218141614 QTLQUXLPEDJJEU-COPCDDAFSA-N 432.568 4.648 70 40 IJIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1cccc(OC(C)C)c1 218583418 NURLXXVANYIOGY-UHFFFAOYSA-N 438.549 4.513 70 40 IJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 218078678 VOWPVFFORCVFFL-UHFFFAOYSA-N 438.531 4.567 70 40 IJIB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 218505706 SXQWPADJHKKRNZ-UHFFFAOYSA-N 442.581 4.743 70 40 IJIB COc1ccccc1NC(=O)C[C@H]1C(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21 217810515 AWIKYMLKYWIXID-FIBVWIARSA-N 446.551 4.786 70 40 IJIB CN1CCC(Oc2ccc(CNC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 216931785 ITIXDORQHBYLPK-UHFFFAOYSA-N 436.980 4.502 70 40 IJIB CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218748006 OUYNXUOQIRHQBI-QFIPXVFZSA-N 430.614 4.734 70 40 IJIB O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 218092921 QGLHGYOZCKVJTN-SANMLTNESA-N 448.563 4.963 70 40 IJIB O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 218634790 NDMOHENEWNVIDP-UHFFFAOYSA-N 448.972 4.698 70 40 IJIB Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 218516748 IBOQEGBCNOLACO-UHFFFAOYSA-N 430.570 4.599 70 40 IJIB CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 218525263 YJYHUWMCZHDJDS-UHFFFAOYSA-N 449.016 4.611 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCc3ccc(F)cc3)ccc2C)cc1 218593553 NICUTJWBUYHAAL-UHFFFAOYSA-N 440.540 4.606 70 40 IJIB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 218646135 HIOOGWNPSFMOOV-QGZVFWFLSA-N 440.590 4.725 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1 217955949 UKUDRNJHIIONED-NTEUORMPSA-N 435.524 4.723 70 40 IJIB COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl 218313390 MCHNTFLCOFNNNY-UHFFFAOYSA-N 444.940 4.567 70 40 IJIB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218489774 MPVSDRIBINFVMT-ZDUSSCGKSA-N 443.396 4.911 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCc2ccc(Cl)cc2)cc1 218413949 RRDMUMHBYLSJCU-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218075601 MJLJGYKZXABVJO-CQSZACIVSA-N 446.370 4.779 70 40 IJIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C 218506796 SGRLJPANEAJXFF-QFIPXVFZSA-N 428.598 4.668 70 40 IJIB Cc1cccc(-c2noc(CNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)n2)c1 218078359 XQADEYLZJGEONJ-UHFFFAOYSA-N 438.531 4.533 70 40 IJIB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218488068 PLFNVSWSAVKHQG-NSHDSACASA-N 435.760 4.748 70 40 IJIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217810485 QPPUBXUIRIVYST-CQSZACIVSA-N 426.904 4.659 70 40 IJIB COc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)c(OC)c1OC 218152760 MBTPGFRFFNWNQX-UHFFFAOYSA-N 430.353 4.569 70 40 IJIB CC(=O)Nc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 101498530 JVPCITKSYGOJTD-UHFFFAOYSA-N 437.479 4.624 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C 218305320 HKFIAWVZRKZDKZ-HXUWFJFHSA-N 436.577 4.761 70 40 IJIB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218488925 QESGGZISJZPGGN-VIFPVBQESA-N 439.723 4.579 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C 218493295 NQWQWNAOADFRIE-HUUCEWRRSA-N 443.396 4.642 70 40 IJIB O=C(CCSc1ccccc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217798980 KFMCFPFLSKBFGE-KRWDZBQOSA-N 425.529 4.839 70 40 IJIB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1 218524867 XKSAWEDWHOPKQQ-FQEVSTJZSA-N 434.989 4.622 70 40 IJIB CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)ccc21 218233352 YYNVKGLZVDYWDU-UHFFFAOYSA-N 435.549 4.528 70 40 IJIB Cc1ccc(SCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 217979643 XJJREDHSBCZFRX-UHFFFAOYSA-N 432.343 4.558 70 40 IJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(F)cccc1Cl 218206121 RNIKVKUFHFELMM-UHFFFAOYSA-N 425.938 4.873 70 40 IJIB Cc1ccccc1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170218 POTHZXXLFKSBTA-KGENOOAVSA-N 440.452 4.741 70 40 IJIB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1 218524779 XKSAWEDWHOPKQQ-HXUWFJFHSA-N 434.989 4.622 70 40 IJIB Cc1cc(C(=O)NCc2cccc(OC(C)C)c2)ccc1NS(=O)(=O)c1ccccc1 218601242 MBHDXSNUIQRFDC-UHFFFAOYSA-N 438.549 4.513 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc54)o3)n2)c(OC)c1 218502185 FEVFBJNAPSPOPU-UHFFFAOYSA-N 443.459 4.925 70 40 IJIB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218527584 UBMSMRVZAVJGMS-SFHVURJKSA-N 449.016 4.656 70 40 IJIB CC[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218556064 JYTLQDOZKDOZPR-FXAWDEMLSA-N 437.005 4.687 70 40 IJIB COc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 218002662 HXSWSGAHMDASAZ-UHFFFAOYSA-N 431.517 4.968 70 40 IJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 218305032 QEIAJRBEZOPACD-HXUWFJFHSA-N 436.577 4.761 70 40 IJIB CC[C@@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218747953 OUYNXUOQIRHQBI-JOCHJYFZSA-N 430.614 4.734 70 40 IJIB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OCC 217165990 ITRYKSFDGNGWJH-LSOGNMMWSA-N 448.519 4.725 70 40 IJIB CC[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218555736 ZPMJCCSHFGEMID-FXAWDEMLSA-N 437.005 4.687 70 40 IJIB O=C(NCCCc1ccccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 218410135 ANBWPPLOWZMCEO-UHFFFAOYSA-N 428.941 4.503 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1 218091732 IAUIKBXRIDZTND-UHFFFAOYSA-N 447.944 4.548 70 40 IJIB CCOc1ccccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 218224637 BOGGKOVRUGHYLB-UHFFFAOYSA-N 444.597 4.510 70 40 IJIB O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1cccc(-c2ccc(Cl)cc2)c1 218195696 XBEDTKSVRBUNEH-INIZCTEOSA-N 448.013 4.658 70 40 IJIB Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 218019897 ZOPYMGJFLNBAIC-UHFFFAOYSA-N 446.370 4.699 70 40 IJIB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 217530253 NLJKTOFSZHHYJC-SOLBZPMBSA-N 445.950 4.886 70 40 IJIB Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NS(=O)(=O)c1ccccc1 218591398 ZUIOWNQTKIKVMI-UHFFFAOYSA-N 438.549 4.513 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(Cl)cc3)c2)cc1 218575277 YAAXDKGLFDKJQO-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB COc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 218002778 ZQSVZYQGKZCRFC-UHFFFAOYSA-N 431.517 4.968 70 40 IJIB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 218555594 ZPMJCCSHFGEMID-YLJYHZDGSA-N 437.005 4.687 70 40 IJIB CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 218560206 KOMPDLRRLIQJJN-HSZRJFAPSA-N 430.614 4.734 70 40 IJIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C 218506721 SGRLJPANEAJXFF-JOCHJYFZSA-N 428.598 4.668 70 40 IJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 218305077 QEIAJRBEZOPACD-FQEVSTJZSA-N 436.577 4.761 70 40 IJIB CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C 218560468 KTTQQAQBMRVEJF-QHCPKHFHSA-N 430.614 4.734 70 40 IJIB O=C(c1ccccc1Br)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217796472 RTMYTBINVXPUKO-CQSZACIVSA-N 444.304 4.733 70 40 IJIB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218488999 QESGGZISJZPGGN-SECBINFHSA-N 439.723 4.579 70 40 IJIB CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 218560293 KOMPDLRRLIQJJN-QHCPKHFHSA-N 430.614 4.734 70 40 IJIB C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 217530173 NLJKTOFSZHHYJC-XYJFISCASA-N 445.950 4.886 70 40 IJIB O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1cccc(-c2ccc(Cl)cc2)c1 218195762 XBEDTKSVRBUNEH-MRXNPFEDSA-N 448.013 4.658 70 40 IJIB COc1ccccc1NC(=O)C[C@H]1C(=O)N([C@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21 217810670 AWIKYMLKYWIXID-FPSLLJFYSA-N 446.551 4.786 70 40 IJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)n1 217831683 NCUCNQCLXRCKKK-HNNXBMFYSA-N 430.430 4.554 70 40 IJIB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217801847 HGKKKWONJGTOLF-QGZVFWFLSA-N 427.907 4.943 70 40 IJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 218637790 HZAAFNLOYGCDPM-GOSISDBHSA-N 449.016 4.868 70 40 IJIB Cc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)n2)cc1 218078471 HSGCSBRXDDXQJQ-UHFFFAOYSA-N 438.531 4.533 70 40 IJIB CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 218491069 OYVIHRLTUXAUIG-ZDUSSCGKSA-N 445.368 4.574 70 40 IJIB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218472952 SRLRFCWPVGNROT-MRXNPFEDSA-N 444.940 4.926 70 40 IJIB CC(C)c1ccc(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 218412970 ATPDHSRLHLLVCU-UHFFFAOYSA-N 436.577 4.973 70 40 IJIB Cc1ccccc1/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170221 POTHZXXLFKSBTA-STZFKDTASA-N 440.452 4.741 70 40 IJIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1 96022881 FPVKXAYMKSFGQK-UHFFFAOYSA-N 442.882 4.888 70 40 IJIB COc1ccc(Br)c(C(=O)N2CCC(COCc3ccc(F)cc3)CC2)c1 217462857 CTOZGCXVXYVGRB-UHFFFAOYSA-N 436.321 4.666 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1C 218526284 LUMODTXNKLXKHG-QGZVFWFLSA-N 434.989 4.622 70 40 IJIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Br)cc3)n2)c1 218199298 LEGFWWAIWRNXKC-UHFFFAOYSA-N 446.370 4.699 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c(OC)c1 218108122 SQKLYZXCXVKCAU-KGENOOAVSA-N 445.475 4.546 70 40 IJIB CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2 218555972 GFDXIUXAFNREKM-UHFFFAOYSA-N 435.561 4.664 70 40 IJIB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C(=O)N1c1cccc(F)c1 217813405 CYWDRFVTCRMRAZ-OZXSUGGESA-N 439.490 4.587 70 40 IJIB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217801261 FDCSMTLPBJAONG-MRXNPFEDSA-N 447.432 4.918 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1 217995588 DFLXNCAJPDHZEV-CYBMUJFWSA-N 447.944 4.546 70 40 IJIB CCOc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OCC 217021065 VKURYAOUSUCSOE-UHFFFAOYSA-N 426.557 4.528 70 40 IJIB Cc1nc2ccc(C(=O)N3CCC(N4CCC[C@@H]4COCc4ccccc4)CC3)cc2s1 217598883 IWDUYDPFIAKQKO-HSZRJFAPSA-N 449.620 4.891 70 40 IJIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Br)cc3)n2)cc1 218199403 VAZMTSOKIHNXHY-UHFFFAOYSA-N 446.370 4.699 70 40 IJIB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 217827880 SNFUUAWGDUCWLW-INIZCTEOSA-N 425.916 4.802 70 40 IJIB CC[C@@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218748072 CENKJGBLLWEKPA-JOCHJYFZSA-N 430.614 4.734 70 40 IJIB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217801770 HGKKKWONJGTOLF-KRWDZBQOSA-N 427.907 4.943 70 40 IJIB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccccc1Cl 218583705 HQTSOZATNVAEJB-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217796575 NWLOCRJGLNOSPA-AWEZNQCLSA-N 433.405 4.989 70 40 IJIB O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 218423540 VRLHFJFWARWVSK-XMMPIXPASA-N 438.524 4.556 70 40 IJIB O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 218422742 VRLHFJFWARWVSK-DEOSSOPVSA-N 438.524 4.556 70 40 IJIB O=C(Cc1c(F)cccc1Cl)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217599964 UTYBOYIGQGMKQQ-OAQYLSRUSA-N 444.978 4.694 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)cc1C 218627208 YOPIHOZVKKBCBL-QHCPKHFHSA-N 428.598 4.668 70 40 IJIB COc1ccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)cc1 218157074 ACOKDZZAZZZKGR-UHFFFAOYSA-N 438.336 4.602 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)cc1C 218635803 LIOXMOQWSNGFFY-NRFANRHFSA-N 434.989 4.622 70 40 IJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)n1 217831741 NCUCNQCLXRCKKK-OAHLLOKOSA-N 430.430 4.554 70 40 IJIB O=C(CSCc1ccccc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217597314 HPAMKIYFWVIYIC-VWLOTQADSA-N 438.637 4.592 70 40 IJIB CN(c1ccccc1C(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccccc1 218347074 JAHUOXVUVDQXTF-UHFFFAOYSA-N 442.968 4.528 70 40 IJIB CC1(C)C[C@@H](NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc2O1 218411274 SPRQEEIVBXRXPE-OAQYLSRUSA-N 436.533 4.520 70 40 IJIB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217800307 XPRHIRNBCIORLD-CQSZACIVSA-N 449.404 4.869 70 40 IJIB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218488176 AVSBUKNHYTXSMX-LLVKDONJSA-N 435.760 4.748 70 40 IJIB CN1CCC(Oc2ccc(CNC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 217012885 QHQBEYAVSARUFG-UHFFFAOYSA-N 430.548 4.669 70 40 IJIB Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1NS(=O)(=O)c1ccccc1 218601523 FPASWDSNMIIBED-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccccc1 218601627 DXUNJSSMCOAFNP-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1ccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 104170248 UFMJPQVESFPHAN-STZFKDTASA-N 440.452 4.741 70 40 IJIB CSc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 218488760 WKZCKVIRUBBGBV-LLVKDONJSA-N 433.382 4.509 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)c(C)c1 218635630 NRSZKZHXOPFDAQ-NRFANRHFSA-N 434.989 4.622 70 40 IJIB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 218484359 IBZPPIINBRQDAZ-OAHLLOKOSA-N 438.977 4.574 70 40 IJIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccc(Cl)cc1 217962991 XTCWMWKOKNCFLK-JXMROGBWSA-N 432.705 4.824 70 40 IJIB CC(C)Sc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)cc1 217489205 RGPMMCRANOFCLQ-UHFFFAOYSA-N 445.548 4.799 70 40 IJIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(OC2CCCC2)cc1 218625995 BSVDBUNLZWYDQW-UHFFFAOYSA-N 442.581 4.743 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1 218331848 DTUWTENMJSPQHT-HXUWFJFHSA-N 436.577 4.928 70 40 IJIB COc1ccccc1NC(=O)C[C@@H]1C(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21 217810443 AWIKYMLKYWIXID-IMLKGASGSA-N 446.551 4.786 70 40 IJIB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCCC1 218516408 NWJPXAHBDBCSGF-UHFFFAOYSA-N 440.487 4.831 70 40 IJIB C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218527664 UBMSMRVZAVJGMS-GOSISDBHSA-N 449.016 4.656 70 40 IJIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)cc1C 218633611 BMSDALZWQMWLHY-DEOSSOPVSA-N 442.625 4.914 70 40 IJIB CN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 218303559 BNTQSKCGNKRMMX-UHFFFAOYSA-N 442.968 4.528 70 40 IJIB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487998 PLFNVSWSAVKHQG-LLVKDONJSA-N 435.760 4.748 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2C)cc1 218603624 BVSKMGQVQRGXAO-UHFFFAOYSA-N 440.540 4.606 70 40 IJIB O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 218092994 QGLHGYOZCKVJTN-AREMUKBSSA-N 448.563 4.963 70 40 IJIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 218506584 NCTNNNVZVHSGEL-QFIPXVFZSA-N 428.598 4.668 70 40 IJIB O=C(c1cnc2c(Cl)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 218082287 KOHKTTQBTBLOLG-XQYWTEMXSA-N 437.971 4.629 70 40 IJIB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217801176 FDCSMTLPBJAONG-INIZCTEOSA-N 447.432 4.918 70 40 IJIB CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 218525770 IFYRKQLBBOGGEM-UHFFFAOYSA-N 436.961 4.554 70 40 IJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccccc3Br)C2)n1 217827782 CVLUBOJYGUWQMC-MRXNPFEDSA-N 440.341 4.902 70 40 IJIB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 218504011 MILHCSNQDDPGII-UHFFFAOYSA-N 427.353 4.729 70 40 IJIB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1Cl 218525431 GVLVSFRRHDUAAL-UHFFFAOYSA-N 427.353 4.729 70 40 IJIB CSc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 218313708 YZLCPTIGRYTMQQ-UHFFFAOYSA-N 426.563 4.627 70 40 IJIB COc1cccc2cc(C(=O)N3CCC[C@@H](Cc4nc(-c5ccccc5C)no4)C3)oc12 217826155 AEBRLCSLPPGLMN-KRWDZBQOSA-N 431.492 4.895 70 40 IJIB Cn1nc(CN(Cc2ccco2)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1C1CC1 217894696 DTMODMTZTKDAPV-UHFFFAOYSA-N 427.932 4.930 70 40 IJIB CC(C)Oc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 218314264 MXRVWNQEEJPXPY-UHFFFAOYSA-N 438.549 4.692 70 40 IJIB Cc1cccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 104170283 ZLRYWYXRLAPADL-KGENOOAVSA-N 440.452 4.741 70 40 IJIB O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100374275 NDBZVZPOTNLWLU-UHFFFAOYSA-N 446.612 4.684 70 40 IJIB in-vitro CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 218297135 GFAWAARAIYKQNT-UHFFFAOYSA-N 442.151 4.705 70 40 IJIB Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 218152115 ITQBEEYGTAVFNC-UHFFFAOYSA-N 446.370 4.948 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 218518741 NHEILHNJBFQFEQ-FQEVSTJZSA-N 428.598 4.668 70 40 IJIB CN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 218303623 MTNPTTQNCHQAFD-UHFFFAOYSA-N 442.968 4.528 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1C 218631126 DKBDDCZONGNTSV-HXUWFJFHSA-N 428.598 4.668 70 40 IJIB O=C(CSc1ccc(F)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217798449 DPHSCFQVBBNAEH-OAHLLOKOSA-N 429.492 4.588 70 40 IJIB CC(C)c1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 218574811 IHJRFFBLMGZEKQ-UHFFFAOYSA-N 436.577 4.973 70 40 IJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 218517539 LHFXUKJALHCVCL-HXUWFJFHSA-N 428.598 4.668 70 40 IJIB Cc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl 218488436 HVMOGWYHKVAPOP-NSHDSACASA-N 435.760 4.748 70 40 IJIB COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(OC(F)(F)F)cc2)c1OC 217644677 SRXIFFXJXZLUAS-QGZVFWFLSA-N 428.432 4.882 70 40 IJIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C 218493385 NQWQWNAOADFRIE-LSDHHAIUSA-N 443.396 4.642 70 40 IJIB O=C(CCCC(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1)c1ccccc1 217597969 ZVVMHVSSDLDMSP-AREMUKBSSA-N 448.607 4.712 70 40 IJIB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C 218493517 NQWQWNAOADFRIE-GJZGRUSLSA-N 443.396 4.642 70 40 IJIB Cc1ccc(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 218093177 GPGIKXQSQGBULY-AREMUKBSSA-N 446.572 4.578 70 40 IJIB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 218307122 LBWRSZBPPJNZGX-UHFFFAOYSA-N 434.989 4.764 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218349847 TUJOAMAHJXKEEY-FQEVSTJZSA-N 436.577 4.928 70 40 IJIB CCOc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)cc(OCC)c1OCC 217691457 ACNGTJSRIRKXED-UHFFFAOYSA-N 426.538 4.936 70 40 IJIB O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217796640 NWLOCRJGLNOSPA-CQSZACIVSA-N 433.405 4.989 70 40 IJIB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 217827967 SNFUUAWGDUCWLW-MRXNPFEDSA-N 425.916 4.802 70 40 IJIB CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 218156715 PLPQKQSNMCCXGE-GOSISDBHSA-N 446.421 4.898 70 40 IJIB CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 218156780 PLPQKQSNMCCXGE-SFHVURJKSA-N 446.421 4.898 70 40 IJIB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487845 YDKRQFYJEGOCBJ-LLVKDONJSA-N 435.760 4.748 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C 218314671 GZJCAJXNKWRPSA-HXUWFJFHSA-N 436.577 4.761 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C 218314745 GZJCAJXNKWRPSA-FQEVSTJZSA-N 436.577 4.761 70 40 IJIB CC1(C)C[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc2O1 218573107 SKODHYIHUDAHHU-OAQYLSRUSA-N 436.533 4.520 70 40 IJIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 218349400 OCEVOXARSZPCNU-HXUWFJFHSA-N 436.577 4.928 70 40 IJIB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccccc1Cl 218651749 BOHJGBHUZQWSDE-UHFFFAOYSA-N 442.968 4.531 70 40 IJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 218526004 HROGSIPWAYDALY-QGZVFWFLSA-N 434.989 4.622 70 40 IJIB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 218637867 HZAAFNLOYGCDPM-SFHVURJKSA-N 449.016 4.868 70 40 IJIB CCc1ccc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(Br)c1 217009848 VGZUASRMVWCANY-UHFFFAOYSA-N 447.373 4.502 70 40 IJIB O=C(Cc1ccccc1Cl)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217597117 HLWKFYKAQWWPEY-QHCPKHFHSA-N 426.988 4.555 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccccc3Cl)c2)cc1 218575187 AXADYVUXGMODRS-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1 218574923 FKTPNBKHHPNSNS-UHFFFAOYSA-N 438.549 4.513 70 40 IJIB Cc1ccc(/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 104170244 UFMJPQVESFPHAN-KGENOOAVSA-N 440.452 4.741 70 40 IJIB O=C(CSCc1ccccc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217597378 HPAMKIYFWVIYIC-RUZDIDTESA-N 438.637 4.592 70 40 IJIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 218562964 SWVUHQWEKQKTLF-UHFFFAOYSA-N 444.641 4.623 70 40 IJIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2F)cc1 218225135 ZTKIXRAKHKPHTJ-UHFFFAOYSA-N 432.561 4.559 70 40 IJIB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3-c3csc(C)n3)n(C)n2)c1 218597013 PCPOYCNCJYVBDT-UHFFFAOYSA-N 434.521 4.789 70 40 IJIB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl 218296824 YPJWRYZNXBGDOM-UHFFFAOYSA-N 442.151 4.705 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C 218310372 UXBWSASKARQQIA-HXUWFJFHSA-N 436.577 4.761 70 40 IJIB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218488253 AVSBUKNHYTXSMX-NSHDSACASA-N 435.760 4.748 70 40 IJIB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218489957 HWZRUWBXCAOOFC-ZDUSSCGKSA-N 429.369 4.910 70 40 IJIB COc1ccc2nn(-c3cc(OCCC[SiH2]C=C(C)C)cc(C(C)(C)C)c3O)nc2c1 215852595 DNPYHJOJVAOLLZ-UHFFFAOYSA-N 439.632 4.712 70 40 IJIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217810569 QPPUBXUIRIVYST-AWEZNQCLSA-N 426.904 4.659 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1C 218633239 BHNHCGOVHVHQKN-FQEVSTJZSA-N 428.598 4.523 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1C 218636436 WJLKRPLPVHHBBC-KRWDZBQOSA-N 434.989 4.622 70 40 IJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 218309989 ZEHGEVCKTGJFLH-HXUWFJFHSA-N 436.577 4.761 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1C 218638040 KHIUQRREYHROSF-SFHVURJKSA-N 449.016 4.868 70 40 IJIB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl 216946383 CDRMFHJHTLIHDQ-SFHVURJKSA-N 430.976 4.514 70 40 IJIB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 218543672 CCTVNMCQYQETDV-UHFFFAOYSA-N 437.540 4.643 70 40 IJIB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(Cl)cccc1Cl 218157678 VKILSKGSNDEZLH-UHFFFAOYSA-N 428.366 4.997 70 40 IJIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCSc1ccccc1 218085416 NJFXFQASVTZQQF-UHFFFAOYSA-N 432.343 4.640 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)c(C)c1 218633345 HGVLPKMBZYIYDW-XMMPIXPASA-N 442.625 4.914 70 40 IJIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)c(C)c1 218626913 IOPKDQCPFLFYJZ-HSZRJFAPSA-N 428.598 4.668 70 40 IJIB Cc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C 218305368 HKFIAWVZRKZDKZ-FQEVSTJZSA-N 436.577 4.761 70 40 IJIB Cc1ccc([C@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C 218558044 RMNCEZRKTQHIIE-SFHVURJKSA-N 437.005 4.689 70 40 IJIB Cc1cc(C)n2nc(C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)nc2n1 217652194 VOURYYPCTGTRJA-UHFFFAOYSA-N 444.495 4.923 70 40 IJIB Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 218026606 FEPOTDVNWGRUHM-UHFFFAOYSA-N 446.370 4.699 70 40 IJIB COc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 218154939 VQUIAPVMAZNDHM-UHFFFAOYSA-N 428.381 4.993 70 40 IJIB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490083 BZZXAKWBBOWHJL-CYBMUJFWSA-N 429.369 4.657 70 40 IJIB COc1cccc(-c2noc(CNC(=O)c3ccccc3SCc3ccccc3)n2)c1 218609176 BTFIBPSOUDGEDJ-UHFFFAOYSA-N 431.517 4.968 70 40 IJIB CC(C)(C)c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1 217593445 MHMMPGUMMXIGMG-UHFFFAOYSA-N 427.614 4.589 70 40 IJIB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 218489497 DXHISOTUTSGQSU-CQSZACIVSA-N 429.369 4.712 70 40 IJIB COc1cccc2cc(C(=O)N3CCC[C@H](Cc4nc(-c5ccccc5C)no4)C3)oc12 217826220 AEBRLCSLPPGLMN-QGZVFWFLSA-N 431.492 4.895 70 40 IJIB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 217701350 KMUZEHSMIJMQSZ-ZYKUOIRYSA-N 445.357 4.935 70 40 IJIB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2cccc(C)c2C)cc1 218305562 BTNANBFQZXWEMO-OAQYLSRUSA-N 436.577 4.685 70 40 IJIB Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 217507812 JQMWBCJTMYGKCL-GASCZTMLSA-N 449.931 4.991 70 40 IJIB Cc1cccc(/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 104170286 ZLRYWYXRLAPADL-STZFKDTASA-N 440.452 4.741 70 40 IJIB O=C(Cc1ccccc1Cl)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217597206 HLWKFYKAQWWPEY-HSZRJFAPSA-N 426.988 4.555 70 40 IJIB Cc1noc(-c2c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc3c2CCOC3)n1 217963689 WPQUXVAVQMIUHW-UHFFFAOYSA-N 433.917 4.629 70 40 IJIB O=S(=O)(F)c1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104170502 OAIOTZFXSVRWPP-UHFFFAOYSA-N 436.488 4.571 70 40 IJIB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218489877 HWZRUWBXCAOOFC-CYBMUJFWSA-N 429.369 4.910 70 40 IJIB Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1NS(=O)(=O)c1ccccc1 218591639 FHXTVSJCFJHHLV-UHFFFAOYSA-N 442.968 4.812 70 40 IJIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1C 218633159 BHNHCGOVHVHQKN-HXUWFJFHSA-N 428.598 4.523 70 40 IJIB CCCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 217455929 GSMAEPNSZALJRE-CALCHBBNSA-N 443.540 4.982 70 40 IJIB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218555917 JYTLQDOZKDOZPR-YLJYHZDGSA-N 437.005 4.687 70 40 IJIB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218487901 YDKRQFYJEGOCBJ-NSHDSACASA-N 435.760 4.748 70 40 IJIB C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1 218493644 IZOLFSLBJVALBV-MRXNPFEDSA-N 446.931 4.552 70 40 IJIB CCc1c(C)c2ccc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc2oc1=O 217509220 QBEXDVVNNUJYMV-CALCHBBNSA-N 443.540 4.900 70 40 IJIB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)[nH]n2)c1 218553167 RELJUUCYVYWVEG-UHFFFAOYSA-N 445.504 4.722 70 40 IJIB Cc1ccc(CN(c2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)cc1 218314922 NPSXIGJMAQXCBK-UHFFFAOYSA-N 428.598 4.804 70 40 IJIB Cc1ccc(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1C 218559252 PNADGEFABMMPBR-UHFFFAOYSA-N 444.597 4.810 70 40 IJIB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)CC1 216931644 VLMGDLRMSZVKQK-UHFFFAOYSA-N 449.414 4.794 70 40 IJIB Cc1cc(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl 216946403 CDRMFHJHTLIHDQ-GOSISDBHSA-N 430.976 4.514 70 40 IJIB CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C 218556149 JYTLQDOZKDOZPR-PXNSSMCTSA-N 437.005 4.687 70 40 IJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccccc3Br)C2)n1 217827691 CVLUBOJYGUWQMC-INIZCTEOSA-N 440.341 4.902 70 40 IJIB O=C(c1cnc2c(Cl)cccc2c1O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 218082363 KOHKTTQBTBLOLG-FOHILQBSSA-N 437.971 4.629 70 40 IJIB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218472881 SRLRFCWPVGNROT-INIZCTEOSA-N 444.940 4.926 70 40 IJIB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217800217 XPRHIRNBCIORLD-AWEZNQCLSA-N 449.404 4.869 70 40 IJIB