smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587695796 SASNAZAHNMPWAQ-QPFGOUBPSA-N 400.675 4.579 10 1 HJCF COCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26844340 YOWQSGDMLXAUHN-UHFFFAOYSA-N 407.495 4.520 10 1 HJCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(Cl)cc3Cl)c12 72176855 JAHXZCQOSAJPFK-UHFFFAOYSA-N 419.216 4.949 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2O)(C(F)(F)F)N1 587701877 DBSPFPBXXUSRPW-ABKXIKBNSA-N 404.201 4.634 10 1 HJCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739960 IVSPRHZBQIMHMH-YUNKPMOVSA-N 407.327 4.764 10 1 HJCF CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 18100888 CLUMUUJYJTTYQG-DNQXCXABSA-N 403.526 4.938 10 1 HJCF CCOC(=O)CCCOc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl 29345786 HDXPHMNKJVZLLD-UHFFFAOYSA-N 414.285 4.672 10 1 HJCF CC(=O)N[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(C)cc1 587217456 WPMBCJIBPHEMIQ-QFIPXVFZSA-N 400.482 4.666 10 1 HJCF Cc1cnc(SC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587855766 WADGDIZZHLGADR-FVMDXXJSSA-N 401.370 4.895 10 1 HJCF N=C(N)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 1857638148 MUDCSDZFYFJVTN-OWOJBTEDSA-N 417.944 4.588 10 1 HJCF COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587699417 SKISMCUEDQCILX-PWJLMRLQSA-N 400.675 4.579 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)cc2)N1 587856387 MJIBFGLWOFLMMI-ZUOKHONESA-N 421.379 4.765 10 1 HJCF Cc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cc(F)cc(F)c1 963019012 DGYHBXAFVWOYCZ-IZHWHUGBSA-N 407.464 4.515 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041378 NCQHWRVXBAXHFW-VXKWHMMOSA-N 402.523 4.884 10 1 HJCF O=C(COc1ccccc1)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 2921400 SWLHCVDORDUQBL-JOCHJYFZSA-N 418.880 4.878 10 1 HJCF O=C(c1ccc(-c2ccccc2)[nH]1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294782 MOCOGWBLXIBCJH-HSZRJFAPSA-N 408.461 4.774 10 1 HJCF COc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2 103234396 ZBRWIIMLYOQQPE-UHFFFAOYSA-N 421.537 4.547 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2O)N1 587713101 RMWUPMJZWJIDKD-PWJLMRLQSA-N 404.201 4.936 10 1 HJCF CCCN(CCCNc1ccnc2cc(C)ccc12)Cc1cc([N+](=O)[O-])ccc1O 49802744 UJNJVWAKNCXCGL-UHFFFAOYSA-N 408.502 4.871 10 1 HJCF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587800178 VSRGWIBZIMVDPB-GIPWTMENSA-N 408.311 4.799 10 1 HJCF CCOC(=O)Cc1oc2c(c1-c1cccc3ccccc13)C(=O)c1ccccc1C2=O 1857643813 QQRSNPJWLVKIKJ-UHFFFAOYSA-N 410.425 4.981 10 1 HJCF Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@@H]3C)c2c1[C@@H](C)[C@@H](C)O2 2356718623 AYBJCDJOJFEQJW-RBJBARPLSA-N 414.454 4.759 10 1 HJCF O=C(CCC1CCN(Cc2ccccc2O)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 66101735 GEZUZKUTYJTVML-UHFFFAOYSA-N 416.521 4.808 10 1 HJCF CC1=NN(C(=O)COc2ccc(Cl)cc2)[C@@H](c2cc(Br)ccc2O)C1 653718494 JTFJQYIXOQDMLP-MRXNPFEDSA-N 423.694 4.536 10 1 HJCF CCN1[C@H]2CC[C@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 261096406 FLLFTNRDBTYQIZ-AOMKIAJQSA-N 419.550 4.574 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2O)N1 587684255 YYABVNRTMVGACG-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc(OC)c12 26844533 AAOOYQDEFXSCRN-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF CC(=O)c1cc(C)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587819609 BJGPEZHUOPKRDH-YBTHPKLGSA-N 406.295 4.603 10 1 HJCF COc1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c(O)c1O)OC(C)(C)C=C4 14768894 KIBDHWSVGXOEGP-UHFFFAOYSA-N 424.449 4.765 10 1 HJCF biogenic Nc1ccc(Oc2ccc3nc([C@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1 587175483 SOSDDMWEPASCEV-LJQANCHMSA-N 401.445 4.800 10 1 HJCF O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103960859 QZYSKKGOSGQYFR-QZQOTICOSA-N 408.639 4.979 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2O)N1 587715949 YYAUFRMBDLDGJX-VPTHRUTESA-N 404.201 4.936 10 1 HJCF CN(C)c1ccc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(O)c3)n2)cc1O 28948993 VQFOFFLGBUXNFH-QHKWOANTSA-N 401.510 4.966 10 1 HJCF CCOC(=O)c1cccc(NC(=O)c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)c1 43025578 HFDVXYPUWZJOLN-VOTSOKGWSA-N 403.434 4.697 10 1 HJCF O=C(N=Nc1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 253988969 AATPPZVLYNXMFT-QFIPXVFZSA-N 413.389 4.694 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(F)cccc12 29473074 YLSIVNMSBRBYCN-UHFFFAOYSA-N 410.474 4.684 10 1 HJCF COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587699425 SKISMCUEDQCILX-VPTHRUTESA-N 400.675 4.579 10 1 HJCF CC(C)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793552 NONVOVDTIYDHSU-FKIZINRSSA-N 408.311 4.952 10 1 HJCF O=C1[C@H](/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)NC(=S)N1c1ccccc1 73297253 QMUGGXLNDVCLRQ-PBJDEKFSSA-N 412.478 4.561 10 1 HJCF COc1cc2c(c3ccc4cc(O)c(O)cc4c13)C=C[C](c1ccc(O)c(O)c1)O2 2356839979 ZRKJQLKFBCUZIQ-UHFFFAOYSA-N 401.394 4.810 10 1 HJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Cl)c2)N1 2936775 OMFZVGUPSCXDJB-XXBNENTESA-N 406.869 4.748 10 1 HJCF C[C@@H]1CCCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)C1 101725528 IMMPVJOYMMGXIR-CYBMUJFWSA-N 421.522 4.832 10 1 HJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2cc1[N+](=O)[O-] 587276857 OEXDMIDMLGPGMP-LRDNONRASA-N 405.414 4.823 10 1 HJCF CCN1CCCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764250 CPHBUTWJIDUUTL-ASSNKEHSSA-N 403.339 4.984 10 1 HJCF CC1(C)CCC[C@H]2COc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3C[C@H]21 33834133 NKZVXBLXJXFAAZ-GOEBONIOSA-N 422.477 4.954 10 1 HJCF biogenic,in-vitro CC(=O)NCCCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26848088 MQTWYLZXAQHNJG-UHFFFAOYSA-N 412.493 4.986 10 1 HJCF O=C(CCCc1ccc(Cl)cc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 29131703 LXWYRHXDCSCERG-UHFFFAOYSA-N 414.716 4.966 10 1 HJCF CCCCCCNc1c2ccccc2nc2cc(C(=O)N3CCN(C)CC3)ccc12 169331371 JQQVCMZKVCVXIM-UHFFFAOYSA-N 404.558 4.768 10 1 HJCF CCOc1ccc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c(N)c2c1 39559688 WKPACPPYKONNPY-UHFFFAOYSA-N 402.410 4.529 10 1 HJCF Cc1sc2c(c1C)CCN[C@H]2c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)O)cc2)c1C 963016096 XKUUKSLLOUHTGT-AOMKIAJQSA-N 424.566 4.859 10 1 HJCF CCCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587824315 ZPLZMZKJJXIFNU-BIBXISHDSA-N 408.311 4.750 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)cc2)N1 587856385 MJIBFGLWOFLMMI-RNODOKPDSA-N 421.379 4.765 10 1 HJCF COc1cc([C@H](NC(C)=O)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC 72175703 LKZISBPUHVZYKQ-QHCPKHFHSA-N 421.449 4.543 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2O)CCCC3)N1 587834964 UQZMBKLNHKEVJR-XUSGNXJCSA-N 404.323 4.970 10 1 HJCF Cc1ccccc1-c1nc2ccc(O)c(CN3CCC(O)(c4ccccc4)CC3)c2[nH]1 45227533 TZLGUDMRGCKQBJ-UHFFFAOYSA-N 413.521 4.728 10 1 HJCF Cc1nn(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1Br 586978770 GUCWZVHHXIBWSP-UHFFFAOYSA-N 412.291 4.562 10 1 HJCF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Cl)cc3)C2)c(O)c1 64513863 QEKONSPZAWJORM-IBGZPJMESA-N 415.946 4.785 10 1 HJCF C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C 169715810 SKVJQFWXXPFAQN-GWJSGULQSA-N 420.593 4.708 10 1 HJCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc(F)cc1F)c1nsnc21 222928032 MMLWZNZQAABWQM-UHFFFAOYSA-N 410.426 4.896 10 1 HJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587695797 SASNAZAHNMPWAQ-RBHXEPJQSA-N 400.675 4.579 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(O)cccc2F)(C(F)(F)F)N1 587706455 QDHFCICXGUTEND-BCTVWOGZSA-N 422.191 4.773 10 1 HJCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587764273 CVNAPMIEKOJHBY-ZSEKCTLFSA-N 419.338 4.821 10 1 HJCF COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C 587575893 GUTZLTRJWRYWBW-DHLKQENFSA-N 415.445 4.904 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2O)N1 587722621 YXUXAVKHPNJNMI-WNWIJWBNSA-N 402.666 4.884 10 1 HJCF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C)CC1 149644065 MFLCXHCYYNGFRF-LJQANCHMSA-N 418.581 4.927 10 1 HJCF O=C1c2ccccc2C(=O)c2cc3oc(SCCCN4CCCCC4)nc3cc21 299829598 UNMYDTDIADLNLJ-UHFFFAOYSA-N 406.507 4.571 10 1 HJCF COc1ccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)cc1-n1c(C)ccc1C 653724739 IRIYDKKDAGSZJR-GOSISDBHSA-N 407.466 4.632 10 1 HJCF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3cccc(Cl)c3)oc2c1 653829364 JFZWPFSYLVIMNV-UHFFFAOYSA-N 424.836 4.830 10 1 HJCF CC(C)N1CCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764609 GIZLOFZYKSPVSC-ASSNKEHSSA-N 403.339 4.983 10 1 HJCF CCC[C@H]1N=C(c2cccc(OC)c2)C[C@H](c2cc(Br)ccc2O)N1 4729675 QPNZKSPDYFWPRT-QUCCMNQESA-N 403.320 4.813 10 1 HJCF CCC[C@H]1N=C(c2ccc(OC)cc2)C[C@H](c2cc(Br)ccc2O)N1 4729353 ATZXGABVEIQUQJ-QUCCMNQESA-N 403.320 4.813 10 1 HJCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27725704 DDLGJMHNPSUPDW-ZFJSRUIDSA-N 407.602 4.706 10 1 HJCF O=C1N=C(NCc2ccccc2Br)S/C1=C\c1ccc2ncccc2c1 28821308 XSFKFRVDUVPUNW-WQRHYEAKSA-N 424.323 4.757 10 1 HJCF NC(=O)N[C@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12 72170646 FIHDJWVEUCATJN-LJQANCHMSA-N 411.255 4.812 10 1 HJCF CCC[C@H]1N=C(c2cccc(OC)c2)C[C@@H](c2cc(Br)ccc2O)N1 4729672 QPNZKSPDYFWPRT-ICSRJNTNSA-N 403.320 4.813 10 1 HJCF O=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 27184392 SJJVBZKKBFTVSO-UHFFFAOYSA-N 419.481 4.577 10 1 HJCF Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2[nH]ncc2c1 40954731 RURJNCDVNGCBPL-UHFFFAOYSA-N 412.493 4.627 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745680 KFJWPGYQVDVRPB-GIGQVBGESA-N 423.282 4.562 10 1 HJCF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2 587832651 KIQNWYWZPVPTIR-LAJNKCICSA-N 404.323 4.889 10 1 HJCF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2 587832652 KIQNWYWZPVPTIR-QKVFXAPYSA-N 404.323 4.889 10 1 HJCF Cc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cc(F)cc(F)c1 963019025 DGYHBXAFVWOYCZ-OYLFLEFRSA-N 407.464 4.515 10 1 HJCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)NCc1ccccc1 1857764248 YKMIYMUFQFUKCQ-DHZHZOJOSA-N 401.418 4.546 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(C)(F)F)cc3)C2)cc1 209121679 VASNHYNRRXKRMC-KSFYIVLOSA-N 418.484 4.575 10 1 HJCF Nc1ccc(Oc2ccc3nc(C(F)(Br)Br)[nH]c3c2)cc1 587086487 ARWQWVPOOKKAMO-UHFFFAOYSA-N 415.060 4.807 10 1 HJCF COc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587348326 WECOVLTUPQNKPL-ILBGXUMGSA-N 419.452 4.548 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(C)(C)F)cc3)C2)cc1 1772654710 LAGAVCVNMCQFEZ-GAJHUEQPSA-N 414.521 4.668 10 1 HJCF COc1c(O)c(CN(C)Cc2ccccc2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127655 SSXBKPPZPNPTDV-UHFFFAOYSA-N 417.461 4.512 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2)N1 587767534 RMRQDTGVIZNOEZ-SZNDQCEHSA-N 403.339 4.986 10 1 HJCF COC(=O)c1ccnc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c12 587195559 LMPADPVTBXYGAL-UHFFFAOYSA-N 400.442 4.893 10 1 HJCF CC(C)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587821021 GKMSTJBJWLFDPT-GIPWTMENSA-N 408.311 4.921 10 1 HJCF COc1ccc2c(c1)c([C@@H]1NCCc3nc4ccccn4c31)c(C)n2Cc1ccccc1 962985846 HWALNYRBUBTKRZ-SANMLTNESA-N 422.532 4.889 10 1 HJCF O=S(=O)(O)c1cc(O)c(/N=N/c2ccc(O)c3ccc(O)cc23)c2ccccc12 13864572 CCHNFKLZZXYCCK-QURGRASLSA-N 410.407 4.772 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)O2 587390965 TUHMNGDDCSFMAD-QFIPXVFZSA-N 404.466 4.698 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2O)N1 587684259 YYABVNRTMVGACG-VPTHRUTESA-N 415.100 4.680 10 1 HJCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(=O)OCC)c3ccccc13)CC2=O 587470534 KSYLHZYAICGBRC-QFIPXVFZSA-N 421.493 4.877 10 1 HJCF O=C(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(-c2ccccc2)cc1 45303242 LYIYJKGGLZYGQK-XMMPIXPASA-N 400.522 4.844 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(C)C4)cc3)C2)cc1 142349490 IKMBJSPYAWWFNI-FDYSRKEFSA-N 408.542 4.576 10 1 HJCF Oc1ccc(CCNCCCCCCNCCCc2ccc(Cl)cc2)cc1O 45168626 SDUKWHBHJUQLKP-UHFFFAOYSA-N 404.982 4.666 10 1 HJCF NC(=S)Nc1cccc(OCCCCCOc2ccc(N3CCCCC3)cc2)c1 53182453 AOMUJBWJBZPOEP-UHFFFAOYSA-N 413.587 4.961 10 1 HJCF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587704251 ICRDFQWYERSDDI-QGHHPUGFSA-N 418.228 4.942 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587820484 DMEITQXZRNPOKP-MLCYQJTMSA-N 408.311 4.921 10 1 HJCF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587929813 LVEHEHBQMMOVQY-QYBDOPJKSA-N 408.457 4.792 10 1 HJCF Cc1cnc(SC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853156 KZMPYYZGKKUESA-XXFAHNHDSA-N 401.370 4.895 10 1 HJCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(=O)OCC)c3ccccc13)CC2=O 587470533 KSYLHZYAICGBRC-JOCHJYFZSA-N 421.493 4.877 10 1 HJCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738560 BEXYXTORUIBUNY-ODXCJYRJSA-N 407.327 4.764 10 1 HJCF COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587699429 SKISMCUEDQCILX-ZKANADHPSA-N 400.675 4.579 10 1 HJCF Oc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(OC(F)(F)F)cc2)c(O)c1O 1857565211 CJUDABWLQJQDGB-UHFFFAOYSA-N 420.265 4.778 10 1 HJCF O=C(O)c1ccccc1/C=C1\SC(=S)N(c2ccc(C(F)(F)F)cc2)C1=O 40897088 FZFWBDJDXYAVSC-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF C[C@H]1CN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 34633741 XCYNCNLEMXFZEX-CCLHPLFOSA-N 413.565 4.685 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2O)N1 587681331 SFKWCTDUWXGOMF-PWJLMRLQSA-N 415.100 4.680 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2O)N1 587710710 HOQCJDXDYAQNRD-ANRSDYALSA-N 404.201 4.936 10 1 HJCF COc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1C(F)(F)F 1772599332 PDFHDLFGYGMJCP-IFXJQAMLSA-N 422.447 4.569 10 1 HJCF Oc1ccc2c(ccn2Cc2ccccc2)c1CN1CCC(N2CCCCC2)CC1 169349608 PFYGUFOOIIURAZ-UHFFFAOYSA-N 403.570 4.846 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccnc3)ccc2O)N1 587780261 ZPCRBQQKPYENDN-GTJPDFRWSA-N 413.290 4.979 10 1 HJCF Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccncc3)c3ccccc32)c1 13550248 NXDGQAHVKZCPEX-CYYJNZCTSA-N 413.437 4.613 10 1 HJCF O=C(C(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587522157 HSLYNAMGGGLRPN-MHZLTWQESA-N 410.469 4.878 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)cc2)N1 587856386 MJIBFGLWOFLMMI-XCLFUZPHSA-N 421.379 4.765 10 1 HJCF Oc1ccc2ncccc2c1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963949 XKIQKBQINHUEHN-NRFANRHFSA-N 414.427 4.700 10 1 HJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 2936819 CFJUHATZZKCPLD-WZONZLPQSA-N 424.859 4.887 10 1 HJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 963189877 XJHCEQGDHUSVFP-QFBILLFUSA-N 424.850 4.647 10 1 HJCF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586964424 ZGIJAEMUMREZLQ-SFHVURJKSA-N 407.499 4.985 10 1 HJCF CC(C)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587793519 NJXOOIUDKCCHID-YUNKPMOVSA-N 408.311 4.952 10 1 HJCF Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@@H]3C)c2c1[C@H](C)[C@@H](C)O2 2356718622 AYBJCDJOJFEQJW-HIAZDOBYSA-N 414.454 4.759 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587697030 VQOYVJAUUKLYOS-RCNPXXIZSA-N 421.093 4.930 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2O)N1 587715947 YYAUFRMBDLDGJX-BCTVWOGZSA-N 404.201 4.936 10 1 HJCF CCN1CCCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766963 PKCOLJUGDALFQE-ASSNKEHSSA-N 403.339 4.984 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745674 KFJWPGYQVDVRPB-APBUJDDRSA-N 423.282 4.562 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587823628 VKLBCQWTYBPWDL-MLCYQJTMSA-N 408.311 4.921 10 1 HJCF O=C(NCc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1452054137 TVHGLWQEDKSQCM-UHFFFAOYSA-N 407.392 4.534 10 1 HJCF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1(C)CC1 149643908 MFLCXHCYYNGFRF-IBGZPJMESA-N 418.581 4.927 10 1 HJCF Oc1c(-c2nc(S)n[nH]2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 1772595777 TVWOACXRUIIWDI-UHFFFAOYSA-N 403.492 4.805 10 1 HJCF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2O)N1Cc1ccccc1 73242993 KAHZOTCOQHMRTH-DHLKQENFSA-N 412.489 4.563 10 1 HJCF COc1cc2c(cc1OC)[C@](C)(c1cc(OC)c3ccccc3c1O)N(C)[C@H](C)C2 962639515 WHMNZUOPRQGCSO-SGANQWHYSA-N 407.510 4.711 10 1 HJCF O=C(/N=N/c1c(O)[nH]c2ccccc12)C1=NNC(c2ccccc2)(c2ccccc2)C1 103968049 UAXDYZPHLFEMQV-BYYHNAKLSA-N 409.449 4.777 10 1 HJCF CC(=O)C[C@@]1(c2cc(Br)ccc2O)c2ccc(F)cc2C[C@H]2CCCN21 963095991 FEBXMUXQWUSBBP-UTKZUKDTSA-N 418.306 4.537 10 1 HJCF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl 587698564 YQSUBCBZOBBVOS-BCTVWOGZSA-N 400.675 4.579 10 1 HJCF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1ccccc1O 13446426 OQERSWUZCFYYAC-IBGZPJMESA-N 407.341 4.537 10 1 HJCF Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cc(Cl)ccc3O)C2)cc1 299869712 VFMJZJXBURKBMB-OAQYLSRUSA-N 411.933 4.518 10 1 HJCF CCCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 26375716 NGYXUFGFNZSXBH-UHFFFAOYSA-N 400.427 4.545 10 1 HJCF Oc1c(Br)cc(Br)cc1C/N=N/c1ccc(Cl)nn1 169689680 VXLZOPJTGVGXOS-BMRADRMJSA-N 406.465 4.645 10 1 HJCF Oc1ccc2oc([C@H](O)c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 103262317 HXQVRDPKXVZSOR-AREMUKBSSA-N 420.553 4.670 10 1 HJCF CCOc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587769758 QAZZHRSNZSDYFK-SPLOXXLWSA-N 419.338 4.627 10 1 HJCF Cc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C 118097907 HNLPATRYNHANCZ-UHFFFAOYSA-N 409.917 4.872 10 1 HJCF COc1cccc2[nH]c3c(c12)CCN1C(=O)c2c(ccc4c2C=CC(C)(C)O4)N(C)[C@@H]31 2356846677 OPMANNGLHVBJLH-HSZRJFAPSA-N 415.493 4.508 10 1 HJCF COc1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)c(O)c1 64479880 OHRYLXNELQNLGH-FQEVSTJZSA-N 413.433 4.534 10 1 HJCF O=C1[C@@H](/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)NC(=S)N1c1ccccc1 73297256 QMUGGXLNDVCLRQ-OESNKQGASA-N 412.478 4.561 10 1 HJCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1OC 114335494 SMBFYIUBVQEPHH-UHFFFAOYSA-N 410.558 4.669 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2)N1 587767546 RNZQPSRKWRJLMB-SZNDQCEHSA-N 403.339 4.986 10 1 HJCF COc1cc2nc3c(cc2c(Cn2ccnc2C)c1O)CSc1cc(F)ccc1-3 653790963 PKYJPCFZZQDIPK-UHFFFAOYSA-N 407.470 4.914 10 1 HJCF COc1cc(OCC2CC2)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172868 JMZYUTJJUGFZJT-QGZVFWFLSA-N 409.526 4.834 10 1 HJCF C[C@H](NC(=O)c1ccon1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149933888 DZZDUPSUDDFOER-KRWDZBQOSA-N 417.509 4.558 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1 587766368 NFSMEEZMGZWVNU-YEJXKQKISA-N 419.338 4.692 10 1 HJCF C[C@@]1(c2cc(Br)cc(N)c2O)NCCc2cccc(-c3ccccc3)c21 962672911 UHPWUWINNCXUNU-QFIPXVFZSA-N 409.327 4.813 10 1 HJCF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586964423 ZGIJAEMUMREZLQ-GOSISDBHSA-N 407.499 4.985 10 1 HJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 2936820 CFJUHATZZKCPLD-FDDCHVKYSA-N 424.859 4.887 10 1 HJCF CCOc1cc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Cl)cc1C(=O)O 587940782 KAYOKGZZSTXAOM-UHFFFAOYSA-N 419.886 4.973 10 1 HJCF O=C(Nc1ccc(CC[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1)C1CCCCC1 1857643378 LBVDDZDBNLWJBU-FZISZGEFSA-N 413.539 4.579 10 1 HJCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccccc2)[nH]n1 617960323 RZKBYZWRNFBQGK-UHFFFAOYSA-N 410.231 4.950 10 1 HJCF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCOCC4)c3)nc3cccc1c23 587107431 RNPMKJAGHOALAC-UHFFFAOYSA-N 422.484 4.651 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1Cc1ccco1 28653392 OJHMSTRHRIBWEP-QGZVFWFLSA-N 421.522 4.720 10 1 HJCF O=C(/N=N/c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 84415928 AATPPZVLYNXMFT-GJQPQMNHSA-N 413.389 4.694 10 1 HJCF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1c(O)ccc2cc(O)ccc12 962396369 GHDBYQOCOVSSDE-DEOSSOPVSA-N 404.535 4.973 10 1 HJCF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(O)c2c1=O 13822663 NEBMHDLKZDGVBD-UHFFFAOYSA-N 414.454 4.717 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746024 LAHFVYCGTFCBJO-DGIBIBHMSA-N 423.282 4.562 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@@H]1CC=C[C@@H]21 587277528 XPCWSMPKXZKVSK-HLFMIMNKSA-N 418.453 4.767 10 1 HJCF Oc1cc2c(cc1O)[C@H](c1ccccc1)N(C(=S)NCc1ccc(Cl)cc1)CC2 1857558400 XHCGYURRAWNFMJ-QFIPXVFZSA-N 424.953 4.773 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO 95797594 RALVQQBRBHDDHS-GPUOULLFSA-N 408.586 4.925 10 1 HJCF COc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219722118 OZCFPSGCTHIGBK-UHFFFAOYSA-N 404.472 4.627 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)O2 587391809 ZFIDPTISIGJEAI-QFIPXVFZSA-N 404.466 4.698 10 1 HJCF COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587702357 YQYAGMYUZHXVGW-ZKANADHPSA-N 400.675 4.579 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2O)CCCC3)N1 587831563 IBGAGECWENLVEL-XUSGNXJCSA-N 404.323 4.970 10 1 HJCF COc1ccc2[nH]cc(CCCCN3CCN(c4cc(C)c(OC)c(C)c4)CC3)c2c1 13582397 WRIJSTMOEVEIIV-UHFFFAOYSA-N 421.585 4.947 10 1 HJCF CC1(C)O[C@H]2[C@@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879387 VFLFJSMFKWWSAY-YVECIDJPSA-N 418.668 4.724 10 1 HJCF Oc1cc(Br)c(-c2cc3c(Br)ccc(O)c3o2)cc1O 299863384 LBUXEKBLVQTCHV-UHFFFAOYSA-N 400.022 4.742 10 1 HJCF COc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 587348328 WECOVLTUPQNKPL-NOZRDPDXSA-N 419.452 4.548 10 1 HJCF CN1CCN(c2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)cc2)CC1 26935295 MUSLJJPDEWVVIS-UHFFFAOYSA-N 413.481 4.792 10 1 HJCF C[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1)c1ccccc1 40863293 RRMUHRIOLPPZTC-PXDATVDWSA-N 416.565 4.730 10 1 HJCF C[C@H](NC(=O)c1cnco1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 150206499 RZKJQFQDERORKZ-KRWDZBQOSA-N 417.509 4.558 10 1 HJCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(C(=O)O)cc1 169330057 RRAPVJXTGUXYSW-QURGRASLSA-N 413.846 4.851 10 1 HJCF CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(N)cc23)cc1 26849422 WPEJZLSTXJJNBG-UHFFFAOYSA-N 412.902 4.739 10 1 HJCF Cc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c(O)c1 29129190 WEUAYOPITIYWCQ-GMKZXUHWSA-N 421.468 4.900 10 1 HJCF COc1ccccc1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 222929305 ISOMJSZZHMUIFB-UHFFFAOYSA-N 404.472 4.627 10 1 HJCF O=C1c2ccccc2-c2cc([C@@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3cccc1c23 587105356 ZKAYIOQOAGWDQF-JOCHJYFZSA-N 420.380 4.517 10 1 HJCF Oc1ccc([C@@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)cc1Cl 27106043 ZPPPIUGZMNLESI-INIZCTEOSA-N 420.292 4.893 10 1 HJCF COc1ccc(/C=C/Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c1 587929337 NOKWGNLXHHXKSH-AATRIKPKSA-N 424.456 4.611 10 1 HJCF S=C(NCc1cccnc1)SCCc1nnc(-c2cc3ccccc3s2)o1 653706712 NPYJKDZOAZYQRT-UHFFFAOYSA-N 412.565 4.697 10 1 HJCF O=C(NCc1ccc(O)c(O)c1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 34845924 KNZHUAFGWMRPPB-UPFYTXMWSA-N 411.929 4.906 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1 587724148 DYVASCPLYQHEBY-FKIZINRSSA-N 407.302 4.951 10 1 HJCF O=C(Oc1ccc2ccccc2c1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735462 WLVCRXYEFILQSG-UHFFFAOYSA-N 401.418 4.788 10 1 HJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(C(=O)O)ccc4C)c1C)[C@@H](C2)C3=O 587431681 QHWPQSNGPIMYDK-YADARESESA-N 417.461 4.598 10 1 HJCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)c(F)c1F)Nc1cccc2[nH]ncc12 14973555 NUCDGUDFADZPSA-GASCZTMLSA-N 411.456 4.684 10 1 HJCF COC(=O)c1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1OC 587078145 ISBRQALSUSIQSS-RDXCRGQUSA-N 409.873 4.838 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)cc2)N1 587856458 MZNKNMLDVQCYJH-RNODOKPDSA-N 421.379 4.765 10 1 HJCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587695798 SASNAZAHNMPWAQ-WNWIJWBNSA-N 400.675 4.579 10 1 HJCF Oc1ccc(CNCCCCCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1O 1857611503 KRJKXHMZSOYNPZ-UHFFFAOYSA-N 419.569 4.709 10 1 HJCF COc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587771741 XIODREGNIDCRPE-AWEZNQCLSA-N 419.338 4.627 10 1 HJCF COc1cccc([C@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O 5499097 AUMDYKOUHUXDRR-LJQANCHMSA-N 412.445 4.826 10 1 HJCF CCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26841386 KEGLJVUBYOYWLR-UHFFFAOYSA-N 419.506 4.834 10 1 HJCF CN(c1ncc(-c2cccc(CNCc3ccccc3O)c2)cn1)C1CCCCC1 45194470 RJJQWFLSKJFWCZ-UHFFFAOYSA-N 402.542 4.908 10 1 HJCF COc1ccc([C@H]2CC(c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)=NN2)cc1 45286041 LOSARFXGWIRVNJ-HXUWFJFHSA-N 412.445 4.613 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3SCCc4sccc43)[nH]c21 587036477 CMDXJHQNFJYLKX-NRFANRHFSA-N 402.500 4.779 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Br)N1 587679399 QPTMAXGHVWVJFL-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3ccncc3)c3ccccc32)cc1 102753952 VIPLVVKHHTXKIW-RQZHXJHFSA-N 413.437 4.613 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)O2 587389500 LFAYLVUTKQGFOA-JOCHJYFZSA-N 418.493 4.771 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)CCCC3)N1 587835979 YYZUPUARHGFERE-LAJNKCICSA-N 404.323 4.970 10 1 HJCF COc1ccc(-n2c(C)cc([C@@H]3NCCc4cc5cccc(OC)c5nc43)c2C)cc1 963065896 JXWFJARYSZLKEF-SANMLTNESA-N 413.521 4.895 10 1 HJCF CCOP(=O)(OCC)c1c(-c2ccccc2)oc2c1C(=O)c1ccccc1C2=O 1857603016 RRKQFTXFOZCTGK-UHFFFAOYSA-N 410.362 4.613 10 1 HJCF C[C@]1(c2cc(Br)cc(N)c2O)NCCc2cccc(-c3ccccc3)c21 962672910 UHPWUWINNCXUNU-JOCHJYFZSA-N 409.327 4.813 10 1 HJCF Cc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(O)cc2)cc1 40895796 ABHWTNNCLMPSQE-OAQYLSRUSA-N 403.507 4.954 10 1 HJCF COc1ccc(-n2cnc3cc(NCc4ccc(OCCN(C)C)cc4)ccc32)cc1 95584903 PSZMBCZQDUQQCV-UHFFFAOYSA-N 416.525 4.587 10 1 HJCF CC(C)(C)OC(=O)c1c(NC(=O)/C=C\c2ccc(O)c(O)c2)sc2c1CCCC2 169175045 NCAGRQVITJKZIP-LUAWRHEFSA-N 415.511 4.645 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)CCCC3)N1 587835982 YYZUPUARHGFERE-XUSGNXJCSA-N 404.323 4.970 10 1 HJCF Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c(C)c1 653796420 OJLBOBXRANQVSY-UXBLZVDNSA-N 419.550 4.915 10 1 HJCF COc1c2c(c3c(=O)c4ccc(O)c(O)c4oc3c1CC=C(C)C)O[C@H](C)C2(C)C 299840822 WJLIWRPTTBXGIV-GFCCVEGCSA-N 410.466 4.933 10 1 HJCF COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587702356 YQYAGMYUZHXVGW-VPTHRUTESA-N 400.675 4.579 10 1 HJCF Cc1cc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)c(C)n1-c1ccccc1F 587922058 ILMZKDLUXVWEQP-UHFFFAOYSA-N 416.485 4.999 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(Br)cc1 1772653855 DJLLZKCJKYHTCZ-HXUWFJFHSA-N 422.282 4.541 10 1 HJCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)Oc1c(cc(O)c(O)c1CC=C(C)C)O2 15252130 AGPYECDHKQOXNE-UHFFFAOYSA-N 412.438 4.851 10 1 HJCF biogenic Cc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)c(O)c1 1857621351 BFMYYVZWHWPYHO-UHFFFAOYSA-N 409.445 4.743 10 1 HJCF COc1ccc(CN(Cc2ccccc2)c2cc(OC)c(OC)c(OC)c2)cc1O 103276428 CDULPUKECPFWQH-UHFFFAOYSA-N 409.482 4.633 10 1 HJCF CCC/C(=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)c1ccccc1 28714323 KAOXISQJUWHXIJ-VZCCSQPZSA-N 411.548 4.754 10 1 HJCF CCN1CCCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766964 PKCOLJUGDALFQE-LRTDBIEQSA-N 403.339 4.984 10 1 HJCF O=C(c1ccc(-c2ccccc2)cc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 3834099 SHAKXEIXZSVTPV-UHFFFAOYSA-N 411.413 4.972 10 1 HJCF CC(C)c1nn(C)c2c1[C@]1(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)NCC2 962914307 SJKRFVHBDIJAAQ-LPPUWEFUSA-N 423.601 4.832 10 1 HJCF O=C(O)c1cccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)c1 40406380 ADDCSEJBWOYUQP-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c(F)c2)N1 587724150 DYVASCPLYQHEBY-ODXCJYRJSA-N 407.302 4.951 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2O)N1 587717828 GRWXRWYTRQCBIM-VXJOIVPMSA-N 420.200 4.816 10 1 HJCF CCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764253 CPHBUTWJIDUUTL-ZSEKCTLFSA-N 403.339 4.984 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OC)cccc12 26002493 XEKVKCKJQQJMLO-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF O=S(=O)(Nc1ccc(O)c(-c2ccccc2O)c1)c1cc(Cl)ccc1Cl 35000918 GLGODKFZFFZDDG-UHFFFAOYSA-N 410.278 4.872 10 1 HJCF COc1cc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3)C2)ccc1O 653737542 BYWLVJRVAOJQKR-HXUWFJFHSA-N 403.507 4.949 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cc(F)c(F)c(F)c3)[nH]c21 587138304 GPLXBVHGYRWUEN-UHFFFAOYSA-N 406.363 4.541 10 1 HJCF CC1(C)CCC[C@H]2COc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3C[C@@H]21 33834131 NKZVXBLXJXFAAZ-HOCLYGCPSA-N 422.477 4.954 10 1 HJCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)cc2)N1 587856452 MZNKNMLDVQCYJH-RBZFPXEDSA-N 421.379 4.765 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587277357 UHRZUSAOILYEDO-ZKTNFTSUSA-N 409.377 4.653 10 1 HJCF CCCN1CCN(c2ccc3c(c2)[C@@H]2CCN(C(=O)OCc4ccccc4)[C@@H]3C2)CC1 1772606679 YYWDXHXCQIOLOT-PXDATVDWSA-N 419.569 4.790 10 1 HJCF CCCN(CCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1 473110544 WWZCKJOSLFFMMU-CYYJNZCTSA-N 404.436 4.777 10 1 HJCF C[C@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351701 JIAFANBVXFQJBV-ISKFKSNPSA-N 408.425 4.693 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1 587829899 CVWBHLKEUVECNU-YBTHPKLGSA-N 406.295 4.633 10 1 HJCF CC(C)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793554 NONVOVDTIYDHSU-ODXCJYRJSA-N 408.311 4.952 10 1 HJCF Cc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587707906 YESHOAGIKSOTOW-QGHHPUGFSA-N 418.228 4.942 10 1 HJCF Cc1c([N+](=O)[O-])ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26847457 PKVFZHAJXOHKJM-UHFFFAOYSA-N 422.466 4.720 10 1 HJCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(N3CCCCC3)cc2)n1 218480274 NEKGXIIMUAXULQ-YLJYHZDGSA-N 409.534 4.621 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2O)N1 587713102 RMWUPMJZWJIDKD-VPTHRUTESA-N 404.201 4.936 10 1 HJCF O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C/N=N/C(=O)c2ccccc2)S1 15884992 GRYAHISAUSLYBZ-NQRAJVRSSA-N 401.451 4.656 10 1 HJCF COC(=O)Cn1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514028 DWBDHAXKVCFYTJ-QFIPXVFZSA-N 403.478 4.708 10 1 HJCF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587707904 YESHOAGIKSOTOW-BTDLBPIBSA-N 418.228 4.942 10 1 HJCF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2 587826323 AFSYVDCMKDDUMM-XUSGNXJCSA-N 404.323 4.889 10 1 HJCF Oc1cc(Br)c(O)c([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962705894 GAIUIIXPMBPDPN-KRWDZBQOSA-N 406.301 4.663 10 1 HJCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NCc3cccnc3)CCCC(C)(C)[C@@H]1CC2 1857535142 STOJTVHGCGNKRX-RXFWQSSRSA-N 422.569 4.943 10 1 HJCF O=S(=O)(Nc1cc(Sc2ccccn2)c(O)c2ccccc12)c1cccs1 84689861 DHIIVFHPLGDUMO-UHFFFAOYSA-N 414.533 4.954 10 1 HJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2cc1[N+](=O)[O-] 587276858 OEXDMIDMLGPGMP-PJSUUKDQSA-N 405.414 4.823 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2O)(C(F)(F)F)N1 587701929 DBSPFPBXXUSRPW-XXFAHNHDSA-N 404.201 4.634 10 1 HJCF CCN1CCCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764251 CPHBUTWJIDUUTL-LRTDBIEQSA-N 403.339 4.984 10 1 HJCF O=C(Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1 102402382 BVZSPCSHPWPXPV-QPLCGJKRSA-N 414.421 4.615 10 1 HJCF COc1cccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 222939239 ZBNQNSKPZPCORK-UHFFFAOYSA-N 404.472 4.627 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Br)N1 587675452 BPMHAJBFVDFPGR-PWJLMRLQSA-N 415.100 4.680 10 1 HJCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccccc3nc12 5138908 KUAFFHZKWIVEFS-UHFFFAOYSA-N 420.538 4.878 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277354 UHRZUSAOILYEDO-CLUVUEOHSA-N 409.377 4.653 10 1 HJCF CCCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587824316 ZPLZMZKJJXIFNU-GIPWTMENSA-N 408.311 4.750 10 1 HJCF Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@H]3C)c2c1[C@H](C)[C@@H](C)O2 299855064 AYBJCDJOJFEQJW-NRMKKVEVSA-N 414.454 4.759 10 1 HJCF Cc1sc2c(c1C)CCN[C@H]2c1cc(C)n(-c2ccc(O[C@H](C)C(=O)O)cc2)c1C 963016110 XKUUKSLLOUHTGT-ZHRRBRCNSA-N 424.566 4.859 10 1 HJCF Cc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cc(F)cc(F)c1 963019016 DGYHBXAFVWOYCZ-MYYSRTQBSA-N 407.464 4.515 10 1 HJCF [N-]=[N+]=NCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 587259357 DDQLYKHUNBBSJZ-UHFFFAOYSA-N 404.643 4.629 10 1 HJCF O=C(O)c1cccc(/N=N/Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 169693874 DAGQWKGHUXSZKG-ZNTNEXAZSA-N 408.483 4.629 10 1 HJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(N(C)C)cc4)c1C)[C@@H](C2)C3=O 587431112 MTLFYYRNFIKAEH-OFVILXPXSA-N 402.494 4.657 10 1 HJCF COc1cccc2cc3c(nc12)[C@H](c1cc(OCc2ccccc2)ccc1O)NCC3 963060749 WRQALLLOHVFAQW-SANMLTNESA-N 412.489 4.763 10 1 HJCF Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1 96198908 LMFUUXPZICCZRG-XXBNENTESA-N 406.869 4.997 10 1 HJCF CC(C)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587821027 GKMSTJBJWLFDPT-YBTHPKLGSA-N 408.311 4.921 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c(F)c2)N1 587724523 IUOCTNJSXNFUIE-YUNKPMOVSA-N 407.302 4.951 10 1 HJCF COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCC[C@@]1(O)CC[C@@H](C)O1 14714545 MYKLWYLNYXNPHN-YAEBDLLGSA-N 422.518 4.716 10 1 HJCF biogenic COc1cc(OC2CCC2)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172853 KZGLDFAPOLSIQR-QGZVFWFLSA-N 409.526 4.977 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Br)N1 587675454 BPMHAJBFVDFPGR-ZKANADHPSA-N 415.100 4.680 10 1 HJCF N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cccc2ccccc12 587258624 PHPMBYUSTAUXRE-NRFANRHFSA-N 417.468 4.734 10 1 HJCF CCOc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587769756 QAZZHRSNZSDYFK-LHSJRXKWSA-N 419.338 4.627 10 1 HJCF Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N\c1ccc(Br)cc1 102449157 UMMCYDXVJFEAOF-FCQUAONHSA-N 409.247 4.862 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)cc2)N1 587856459 MZNKNMLDVQCYJH-XCLFUZPHSA-N 421.379 4.765 10 1 HJCF COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587702354 YQYAGMYUZHXVGW-BCTVWOGZSA-N 400.675 4.579 10 1 HJCF O=C(CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1 1857600134 PPOPMCPVLWEIPD-MHWRWJLKSA-N 418.337 4.533 10 1 HJCF O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccccc1 587945586 OJPVEHGAORPMSA-FQEVSTJZSA-N 400.381 4.795 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2O)N1 587684261 YYABVNRTMVGACG-ZKANADHPSA-N 415.100 4.680 10 1 HJCF O=C1Sc2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23 717495 YRSAAZQKQHBPDX-UHFFFAOYSA-N 407.472 4.745 10 1 HJCF CC(C)=CCc1c(CO)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O 5854517 HODIDERFBMZRHC-UHFFFAOYSA-N 410.466 4.573 10 1 HJCF biogenic,in-vitro CC(=O)Nc1c(C)cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C 103275228 ZMYFPFRPLKSMIX-OCOZRVBESA-N 423.498 4.873 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(F)ccc12 5138626 QNYAYTQFNDOAJN-UHFFFAOYSA-N 411.458 4.651 10 1 HJCF O=C(Oc1ccccc1)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653713054 YASCDDFDZRTSBF-UHFFFAOYSA-N 413.248 4.505 10 1 HJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Cl)c2)N1 2936773 OMFZVGUPSCXDJB-AUSIDOKSSA-N 406.869 4.748 10 1 HJCF CC(C)(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(O)c(O)c2)sc2c1CCCC2 45195618 NCAGRQVITJKZIP-PKNBQFBNSA-N 415.511 4.645 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@@H]1CC=C[C@H]21 587277529 XPCWSMPKXZKVSK-KIMHZCHSSA-N 418.453 4.767 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587820481 DMEITQXZRNPOKP-MGNBDDOMSA-N 408.311 4.921 10 1 HJCF COc1ccc2c(c1)C[C@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)CC2 587945036 DPGJWKNICFAUNP-OAHLLOKOSA-N 408.457 4.619 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745682 KFJWPGYQVDVRPB-OVWNDWIMSA-N 423.282 4.562 10 1 HJCF O=C(/N=N\c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 6197625 AATPPZVLYNXMFT-BQRJAFJYSA-N 413.389 4.694 10 1 HJCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 29045059 ZAQGWRZUYXUFLS-FQEVSTJZSA-N 403.507 4.954 10 1 HJCF CCN1c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C 587763426 ZABGQRAKHSWPKE-BHVCSQLQSA-N 403.339 4.983 10 1 HJCF COc1ccc(NC(=O)/C=C/c2ccc(O)c3oc(-c4ccc(O)c(O)c4)cc23)cc1 1857772105 JBUJAUQSUDLAEC-NYYWCZLTSA-N 417.417 4.877 10 1 HJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518369 GUDWUJWOQUKDHM-ZTEVPRNISA-N 403.522 4.967 10 1 HJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C3=NC(C)(C)CO3)c2)cc1 587936524 UQVRKPCPUIXLPY-UHFFFAOYSA-N 418.493 4.726 10 1 HJCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccccc3nc2c1 5138903 FZHMHZWHHZIJHI-UHFFFAOYSA-N 420.538 4.878 10 1 HJCF Oc1c(CN2CCCC2)cc(Nc2ccnc3ccccc23)cc1CN1CCCC1 27887008 OVMCHAAMWCRQRP-UHFFFAOYSA-N 402.542 4.876 10 1 HJCF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587796466 KLLOTJPDZLGZDB-BIBXISHDSA-N 408.311 4.799 10 1 HJCF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccccc3Cl)oc2c1 653829415 XNWQLAJDLJHTFJ-UHFFFAOYSA-N 424.836 4.830 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c(F)c2)N1 587724522 IUOCTNJSXNFUIE-ODXCJYRJSA-N 407.302 4.951 10 1 HJCF CC(C)N1CCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587769691 ZJPJVMQHICNYFV-ZSEKCTLFSA-N 403.339 4.983 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587823630 VKLBCQWTYBPWDL-XTZNXHDOSA-N 408.311 4.921 10 1 HJCF Cc1cc(C)cc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])c1 96174923 KUNOEWBNXRKCRA-SXGWCWSVSA-N 402.522 4.852 10 1 HJCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)cc3nc2c1C 26844463 VSFFFSYMUXLZLG-UHFFFAOYSA-N 406.511 4.702 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c21 587139678 PEYBZJVYNURJTG-UHFFFAOYSA-N 421.771 4.706 10 1 HJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 29392877 LWHSITACPOOWQH-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c(Cl)cccc1Cl 40848061 LKAQXHCYYWLPMT-JXMROGBWSA-N 402.064 4.762 10 1 HJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1OC 587276561 LXYMBUXWXDDFCW-PXIJXODZSA-N 406.442 4.623 10 1 HJCF Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@@H]3C)c2c1[C@@H](C)[C@H](C)O2 2356718624 AYBJCDJOJFEQJW-WTTBSCSTSA-N 414.454 4.759 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@@H]2c2ccc(O)cc2)cc1 40895335 LQFZFLSNDAAILJ-OAQYLSRUSA-N 419.506 4.655 10 1 HJCF COc1cc([C@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)ccc1O 40896280 WOEUYNMHIPCGSU-LJQANCHMSA-N 419.506 4.655 10 1 HJCF CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181415 ZAMRINYTVMAWDY-QGZVFWFLSA-N 404.562 4.962 10 1 HJCF CCS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587080015 JVNOKLOHFFLSSF-MDOVXXIYSA-N 413.930 4.836 10 1 HJCF Cc1cc(C)c(O)c([C@]2(CCC(=O)O)c3ccsc3CCN2Cc2cccn2C)c1 962399480 QOACRRSDAPGDPQ-DEOSSOPVSA-N 424.566 4.576 10 1 HJCF Cc1ccccc1-c1cc2nc(NCc3ccc(N(C)C)cc3)n(C)c(=O)c2s1 61905328 AWJFSNHNHKFODV-UHFFFAOYSA-N 404.539 4.649 10 3 HJCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1 586983351 BDCCGKIPROMHDS-SFHVURJKSA-N 423.314 4.942 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2O)N1 587709719 CFJXOWYVYZVGAF-AYVTZFPOSA-N 404.201 4.936 10 1 HJCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938420 VVUPWRBLQOUUJK-UHFFFAOYSA-N 412.445 4.922 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587820487 DMEITQXZRNPOKP-YPMLDQLKSA-N 408.311 4.921 10 1 HJCF Cc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@H]2c2ccc(O)cc2)cc1 29044758 ABHWTNNCLMPSQE-NRFANRHFSA-N 403.507 4.954 10 1 HJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)ccc1C(=O)O 219920642 POYGMLCXFRUSSZ-NRFANRHFSA-N 402.494 4.812 10 1 HJCF Nc1ccc(Oc2ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3c2)cc1 587091180 GLOBAIPGCRDYPK-UHFFFAOYSA-N 400.360 4.941 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1 587706461 QDHFCICXGUTEND-ZKANADHPSA-N 422.191 4.773 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3C)C2)cc1 209121577 TTYOHSTWNLBRSU-MHECFPHRSA-N 408.542 4.639 10 1 HJCF COc1ccc(NC(C)(C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587201594 TXTOPBNGIZIORA-UHFFFAOYSA-N 411.461 4.694 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587823631 VKLBCQWTYBPWDL-YPMLDQLKSA-N 408.311 4.921 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2O)N1 587678886 OWYPWONKCWPUOZ-ANRSDYALSA-N 415.100 4.680 10 1 HJCF Cc1cc([C@]2(C(F)(F)F)c3c(cnn3C)CCN2C)c(C)n1-c1ccc(Cl)cc1 963953887 DVMMSGZOUNZUEE-HXUWFJFHSA-N 422.882 4.775 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2)N1 587767543 RNZQPSRKWRJLMB-LHSJRXKWSA-N 403.339 4.986 10 1 HJCF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 40873957 QGVKBDWBPAMPEY-AFTCVCNRSA-N 400.515 4.566 10 1 HJCF Nc1ccc(N2CCC(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1 96285767 KRRDPEYXRXJAPC-UHFFFAOYSA-N 419.500 4.842 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(O)cccc2F)(C(F)(F)F)N1 587706220 PIZPOSVHZFUOQI-PWJLMRLQSA-N 422.191 4.773 10 1 HJCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587764272 CVNAPMIEKOJHBY-YEJXKQKISA-N 419.338 4.821 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2O)N1 587677817 MAYJQDUHNGGFPJ-VXJOIVPMSA-N 415.100 4.680 10 1 HJCF O=C(/N=N\c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 6197621 AATPPZVLYNXMFT-RXFRQMQLSA-N 413.389 4.694 10 1 HJCF C[C@H](NC(=O)C(C)(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149954401 LETDTRBLVNGDIL-INIZCTEOSA-N 414.496 4.912 10 1 HJCF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587262118 NCQXCXJHAWXARV-UHFFFAOYSA-N 404.426 4.776 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277356 UHRZUSAOILYEDO-UFYHVXEKSA-N 409.377 4.653 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2O)N1 587717825 GRWXRWYTRQCBIM-AYVTZFPOSA-N 420.200 4.816 10 1 HJCF CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)SC1=S 299829100 JVKUTHJALPJICF-ZCWPUFOUSA-N 413.955 4.823 10 1 HJCF COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)cc1 40393379 UJMMRNAGYQAGBJ-OAQYLSRUSA-N 403.507 4.949 10 1 HJCF Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])cc1F 96174919 DGDWVVYUPPMLPZ-CHHVJCJISA-N 406.485 4.682 10 1 HJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587693645 NIHCUEPRCILWCV-CQLKUDPESA-N 400.675 4.579 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2O)CCCC3)N1 587834957 UQZMBKLNHKEVJR-GTJPDFRWSA-N 404.323 4.970 10 1 HJCF Cc1cccc(C)c1OCC(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 18227460 LMQLBFGGBUCAPF-DQRAZIAOSA-N 402.248 4.942 10 1 HJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccoc2)cc1 72124516 GFATWDTXSNKRQP-UHFFFAOYSA-N 414.461 4.829 10 1 HJCF CCCC(=O)Nc1ccc(O)c([C@]2(C)c3ccsc3CCN2Cc2cccn2C)c1 962370727 GSNHAEUSBQMINU-DEOSSOPVSA-N 423.582 4.853 10 1 HJCF O=C(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(-c2ccccc2)cc1 45303243 LYIYJKGGLZYGQK-DEOSSOPVSA-N 400.522 4.844 10 1 HJCF CSc1ccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2C)cc1 962907078 SFCHOCBOLTWGRO-RBBKRZOGSA-N 410.514 4.643 10 1 HJCF COc1ccc2[nH]c(CN(C)c3ccc(C(F)(F)F)cc3)c(CCNC(C)=O)c2c1 43079134 WQYNWUPUMDNUPV-UHFFFAOYSA-N 419.447 4.510 10 1 HJCF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 71295997 MFQBFOCUGSCKOK-JOCHJYFZSA-N 417.896 4.561 10 1 HJCF CC(C)c1ccc([C@@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1[N+](=O)[O-] 103191030 KIBKPVWXNYZJPR-QHCPKHFHSA-N 405.406 4.592 10 1 HJCF Nc1ccc(Oc2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)cc1 586967201 QIQPFSMAZNLUEP-UHFFFAOYSA-N 416.466 4.675 10 1 HJCF Cc1cc(N(C)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c([N+](=O)[O-])cc1F 587136028 ACFCIVUJQOWDIA-UHFFFAOYSA-N 421.432 4.930 10 1 HJCF CN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 13587756 ZKEMCNKKDNAEQU-MUUNZHRXSA-N 424.544 4.527 10 1 HJCF COc1cc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccccc3)C2)ccc1O 653737537 BYWLVJRVAOJQKR-FQEVSTJZSA-N 403.507 4.949 10 1 HJCF COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587275408 DFEHOZSRXMTLBM-BXTJHSDWSA-N 406.442 4.623 10 1 HJCF COc1ccc2nc(NCCc3cc[n+](Cc4c(F)cccc4F)cc3)sc2c1 1772652928 HNIRSKKACUNWIE-UHFFFAOYSA-N 412.485 4.574 10 1 HJCF CC(C)c1ccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)c(F)c2)cc1 1911579404 XTTASODIJGGZLI-UHFFFAOYSA-N 411.436 4.972 10 1 HJCF CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(F)ccc12 27729558 OMVPIKQULSSHOI-UHFFFAOYSA-N 424.501 4.708 10 1 HJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(N(C)C)cc4)c1C)[C@@H](C2)C3=O 587431113 MTLFYYRNFIKAEH-SQJMNOBHSA-N 402.494 4.657 10 1 HJCF COc1ccc(-c2cnnc(/N=N/Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 169688386 HDOPBDHTHFUVIP-YYDJUVGSSA-N 416.397 4.999 10 1 HJCF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(=O)c-2c1O 169712540 RTLXZLRBYACFDB-UHFFFAOYSA-N 414.454 4.668 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(OC)cc12 29469546 WAZBQQUMFAOFBQ-UHFFFAOYSA-N 422.510 4.553 10 1 HJCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)c(OC)c1 114333855 HFICKCAXXARMLH-UHFFFAOYSA-N 410.558 4.669 10 1 HJCF CC(C)(C)c1cc(O)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611250 RSFFNEGELGDZIJ-CVDCTZTESA-N 406.434 4.804 10 1 HJCF CCn1cc(Br)c(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)n1 586999945 GDTDPJFDESFXIY-UHFFFAOYSA-N 412.291 4.507 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2O)CCCC3)N1 587831558 IBGAGECWENLVEL-QKVFXAPYSA-N 404.323 4.970 10 1 HJCF CSc1ccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2C)cc1 962907081 SFCHOCBOLTWGRO-UNMCSNQZSA-N 410.514 4.643 10 1 HJCF CCCc1c(O)ccc2c1O[C@@](C(=O)C(=O)c1ccccc1)(c1ccccc1)CC2=O 587479207 CCGGOKIBCOWCPG-AREMUKBSSA-N 414.457 4.657 10 1 HJCF Oc1cc(-c2ncc(-c3ccccc3)o2)c(Br)c(Br)c1O 1857587020 PHUBUUUTEMIORX-UHFFFAOYSA-N 411.049 4.945 10 1 HJCF C[C@@H]1CCCCN1Cc1c(O)ccc2c(O)c(-c3nc4ccccc4s3)c(=N)oc12 101624103 FJXFMZQRQJNTQF-CYBMUJFWSA-N 421.522 4.975 10 1 HJCF Cc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587704249 ICRDFQWYERSDDI-BTDLBPIBSA-N 418.228 4.942 10 1 HJCF CCCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 40410794 ZFPJGWIYYKYLKG-UHFFFAOYSA-N 415.530 4.964 10 1 HJCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692125 JXRUPVTTWVHQOR-QPFGOUBPSA-N 400.675 4.579 10 1 HJCF COCc1cc(C)n(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c1C 653724778 RMJVTNSFQCCMDV-HXUWFJFHSA-N 421.493 4.770 10 1 HJCF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccc(O)cc1)c1ccccc1O 962378752 ZNBBVYGMXYEYAW-RUZDIDTESA-N 416.546 4.848 10 1 HJCF CN(C)c1ccc(/C=C/C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 95594413 HKDOJPPZKIHKLH-KPKJPENVSA-N 422.960 4.976 10 1 HJCF C[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587156458 NPLDLXZZWVDQDP-HSZRJFAPSA-N 402.429 4.868 10 1 HJCF COc1ccc(C(=C/Cc2ccco2)/N=N/c2nc3ccccc3c(=O)n2C)cc1 169720507 MRHLPBFSNCNLFL-ZKMJRSMRSA-N 400.438 4.903 10 1 HJCF CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)SC1=S 299829060 JVKUTHJALPJICF-KMTKGMGQSA-N 413.955 4.823 10 1 HJCF Cc1cccc(C)c1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 102541289 LMQLBFGGBUCAPF-QURGRASLSA-N 402.248 4.942 10 1 HJCF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cn1 587247930 YKOWLGPBPUWRFX-UHFFFAOYSA-N 401.470 4.984 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2O)N1 587681329 SFKWCTDUWXGOMF-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl 587698569 YQSUBCBZOBBVOS-ZKANADHPSA-N 400.675 4.579 10 1 HJCF Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)cc1 653798092 PKPQIHKZSAROOC-IZZDOVSWSA-N 405.523 4.607 10 1 HJCF CC(C)c1cc2c(c(O)c1O)[C@@]1(c3nnc(CN(C)C)o3)CCCC(C)(C)[C@@H]1CC2 1857616187 QPYIPWZIVGZAGL-BXKMTCNYSA-N 413.562 4.724 10 1 HJCF COc1ccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 13491638 JFBBVXDQTARMEM-UHFFFAOYSA-N 424.548 4.870 10 1 HJCF CN(C)c1ccc(-c2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3o2)cc1 40879943 LQUCWJDBJCWXLN-UHFFFAOYSA-N 401.422 4.542 10 1 HJCF O=c1oc(-c2cc(C(F)(F)F)ccc2Cl)nn1Cc1cc(Cl)ccc1O 35242373 KOTVBMSCYJKMGP-UHFFFAOYSA-N 405.159 4.583 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)CCCC3)N1 587835413 WAKBCWZSAPSVEP-GTJPDFRWSA-N 404.323 4.970 10 1 HJCF COc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587348334 WECOVLTUPQNKPL-UKILVPOCSA-N 419.452 4.548 10 1 HJCF O=C(N=Nc1c(O)[nH]c2ccccc12)C1=NNC(c2ccccc2)(c2ccccc2)C1 617960132 UAXDYZPHLFEMQV-UHFFFAOYSA-N 409.449 4.777 10 1 HJCF O=C(O)C1CCN(c2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)CC1 962662693 CHHMLBOFESICOC-AREMUKBSSA-N 412.533 4.890 10 1 HJCF CCOc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC)cc34)CC2)cc1 13582380 PBXLRHIKMFGPMT-UHFFFAOYSA-N 407.558 4.720 10 1 HJCF CC1(C)CCC[C@H]2COc3cc(O)c4c(=O)c(-c5ccc(O)c(O)c5)coc4c3C[C@@H]21 14825079 BMFRBRVHLZOMCJ-YOEHRIQHSA-N 422.477 4.954 10 1 HJCF biogenic Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(Cl)c1O 103279573 NPQKWPKFRWMJFA-GHVJWSGMSA-N 417.878 4.547 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2O)N1 587713100 RMWUPMJZWJIDKD-BCTVWOGZSA-N 404.201 4.936 10 1 HJCF CC(C)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587821032 GLIXFSCQTWJQLW-GIPWTMENSA-N 408.311 4.921 10 1 HJCF CC(C)c1ccc([C@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1[N+](=O)[O-] 103191031 KIBKPVWXNYZJPR-HSZRJFAPSA-N 405.406 4.592 10 1 HJCF COc1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)c(O)c1 64479881 OHRYLXNELQNLGH-HXUWFJFHSA-N 413.433 4.534 10 1 HJCF CC(=O)c1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587819607 BJGPEZHUOPKRDH-PRWKNARSSA-N 406.295 4.603 10 1 HJCF CCCCN1N=C(CCC)/C(=C/c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O 26576613 LDACPPQNWAJNDO-PGMHBOJBSA-N 414.513 4.716 10 1 HJCF COc1ccc(N2CCN(c3nccc(Nc4cc(C)ccc4C)n3)CC2(C)C)cc1 53213837 ZNLFYOAIKRECFA-UHFFFAOYSA-N 417.557 4.951 10 1 HJCF CCN(CC)Cc1cc(C2=Cc3cc(CN(CC)CC)c(O)cc3OC2)ccc1O 473152904 XAFSBHAUGRPFNJ-UHFFFAOYSA-N 410.558 4.714 10 1 HJCF COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1N(C)c1ccc(C)cc1 200622038 REBSHFACHCQOKH-UHFFFAOYSA-N 401.510 4.772 10 1 HJCF Oc1ccc(-c2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)s2)cc1O 142483627 FXKBZSGWQMZEJJ-UHFFFAOYSA-N 408.431 4.983 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1 587706459 QDHFCICXGUTEND-VPTHRUTESA-N 422.191 4.773 10 1 HJCF COc1ccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587767684 JTOSKFDQDVLNJO-CQSZACIVSA-N 419.338 4.627 10 1 HJCF O=C(NCc1ccc(-c2ccccc2)cc1)C1CCN(Cc2ccccc2O)CC1 1857612593 HWBVCNNEBJMJOE-UHFFFAOYSA-N 400.522 4.588 10 1 HJCF Oc1c(CN2CCCC2)cc(Nc2ccc3ccccc3n2)cc1CN1CCCC1 27978213 MXPKIPOKIYKQHP-UHFFFAOYSA-N 402.542 4.876 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1 40914058 BDUZLGUAHMCFSZ-HXUWFJFHSA-N 419.506 4.655 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2O)N1 587677810 MAYJQDUHNGGFPJ-ANRSDYALSA-N 415.100 4.680 10 1 HJCF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(O)c2c1=O 13822667 GVPBOWJDLDEHPO-UHFFFAOYSA-N 414.454 4.717 10 1 HJCF COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587275409 DFEHOZSRXMTLBM-QEEYODRMSA-N 406.442 4.623 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2 587389937 NXWACURINMIDNC-XMMPIXPASA-N 404.466 4.564 10 1 HJCF CCCCCc1c(C)c(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCCCC)C2=O 2356800101 PRIGQOFIBGLIHP-UHFFFAOYSA-N 410.514 4.745 10 1 HJCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)c(OC)c1 13651952 UAZHCBHXTWVCAF-DEOSSOPVSA-N 422.550 4.522 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)(F)F)c2O)N1 587709721 CFJXOWYVYZVGAF-GLEZIHRCSA-N 404.201 4.936 10 1 HJCF COc1cc2oc(-c3ccc(O)c(O)c3)ccc2c2ccc3cc(O)c(=O)cc3c12 14712897 WAQHGAXVBYSDMP-UHFFFAOYSA-N 400.386 4.892 10 1 HJCF biogenic CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738561 BEXYXTORUIBUNY-YUNKPMOVSA-N 407.327 4.764 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745677 KFJWPGYQVDVRPB-DGIBIBHMSA-N 423.282 4.562 10 1 HJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@@H](c3ccccc3)C2)ccc1C(=O)O 219920669 POYGMLCXFRUSSZ-OAQYLSRUSA-N 402.494 4.812 10 1 HJCF Nc1ccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)cc2N2CCOCC2)cc1 28869260 MPMTUIGMIZXZOT-UHFFFAOYSA-N 412.493 4.750 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cnco4)cc3)C2)cc1 96173004 HFCVGPDLWAYYIF-QGZVFWFLSA-N 406.482 4.717 10 1 HJCF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCC4CC4)cc3)C2)cc1 1772649384 NCMJEWFQJJXJKS-UQBPGWFLSA-N 422.569 4.763 10 1 HJCF CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(F)(F)F)cc3)N=C2C)cc1OC 95552274 MDPIQCRLJKNJFN-BOPFTXTBSA-N 404.388 4.919 10 1 HJCF Cc1cc(/C=C2\SC(=S)N(CCCCC(=O)O)C2=O)c(C)n1-c1ccccc1 7166369 GXHCOSRNYBAMKK-AQTBWJFISA-N 414.552 4.550 10 1 HJCF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccccc2O)N1c1ccc(F)cc1 29129484 GWXQKSOMHYPUFN-DNVJHFABSA-N 407.441 4.592 10 1 HJCF O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cc(O)n(-c2ccccc2)c1O 169691215 CHTMQAICUCJQEE-DQBOXZGESA-N 420.515 4.851 10 1 HJCF O=C1c2ccccc2C(=O)c2cc3oc(SCc4cccc([N+](=O)[O-])c4)nc3cc21 299830326 WEFKMNUAWJYTMF-UHFFFAOYSA-N 416.414 4.804 10 1 HJCF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C(=O)C(=O)OC)c2c1 587644350 VYDOIZIXBWDIHY-MRXNPFEDSA-N 420.509 4.541 10 1 HJCF O=C1Sc2cc(S(=O)(=O)Nc3ccc(O)c4ccccc34)cc3cccc1c23 299831065 ZZAUVGINMLVAHF-UHFFFAOYSA-N 407.472 4.745 10 1 HJCF Cc1nn(-c2nc(-c3ccccc3)cs2)c(O)c1N=Nc1ccc(C(N)=O)cc1 617978374 VVMOBGUROXGJJK-UHFFFAOYSA-N 404.455 4.524 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2O)N1 587766371 NFSMEEZMGZWVNU-ZSEKCTLFSA-N 419.338 4.692 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccc(C)o4)cc3)C2)cc1 142353622 YGQHRTSLAIHBPT-SFHVURJKSA-N 420.509 4.745 10 1 HJCF COc1cccc(C(=O)Oc2ccc(C/N=N/c3ccc(C(=O)O)cc3)cc2OC)c1 169689049 RIZBYDOSAKGXBY-OCOZRVBESA-N 420.421 4.905 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Br)cc3F)[nH]c21 587142689 LAOJHWKAZCCEGY-UHFFFAOYSA-N 421.225 4.907 10 1 HJCF COc1cccc(C(=O)N[C@@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)c1 2921433 DTSOCBNENZVCSH-LJQANCHMSA-N 408.841 4.715 10 1 HJCF Cn1c(O)c(/N=N/C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 101624864 IYIVYJUXHCHGOK-OCOZRVBESA-N 401.348 4.563 10 1 HJCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(O)nc2ccccc12 103969351 DCUHTNHUZXRXCI-GHVJWSGMSA-N 411.215 4.814 10 1 HJCF COc1ccc([C@H]2Sc3ccccc3-n3c(CN(C)C)ccc3[C@H]2OC(C)=O)cc1 13757072 SNGKMEGHOVULOS-DNQXCXABSA-N 422.550 4.999 10 1 HJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@H](c3ccccc3O)C2)ccc1C(=O)O 219920485 GAPILSQCAVPWHD-IBGZPJMESA-N 418.493 4.518 10 1 HJCF CCCc1c(O)ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587822612 PSDRPXQEKKZUAO-GIPWTMENSA-N 408.311 4.750 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2O)N1 587723188 VKWYLUTWACCKMD-ANRSDYALSA-N 420.200 4.816 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1 587830292 DMRUBBUMKGPPJN-YBTHPKLGSA-N 406.295 4.633 10 1 HJCF CC(C)c1nn(C)c2c1[C@]1(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)NCC2 962914312 SJKRFVHBDIJAAQ-RMUDUWAUSA-N 423.601 4.832 10 1 HJCF OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCNCC2)cc1)c1ccccc1 1857575680 NQAANALTUIQIHT-CYYJNZCTSA-N 414.549 4.533 10 1 HJCF Cc1c(Br)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 3814511 YAGVGZRCFDSMDV-UHFFFAOYSA-N 408.292 4.758 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO 95601708 NWRPOEUPEYKEEP-IEZKXTBUSA-N 423.601 4.860 10 1 HJCF CN(C)c1ccc(/C=C/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1 5582528 LHHUWKARPDEOKK-UHFFFAOYSA-N 404.537 4.863 10 1 HJCF COc1ccc(NS(=O)(=O)c2ccc(/N=N/c3cc(C)c(O)c(C)c3)cc2)nc1 103279597 DPZYMTMUTWSZOW-GHVJWSGMSA-N 412.471 4.629 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587691288 DRXRVKWXFWBJRF-RWBAJPLHSA-N 421.093 4.930 10 1 HJCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764240 CMCLHIPCIQKJKL-ASSNKEHSSA-N 419.338 4.821 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587823627 VKLBCQWTYBPWDL-MGNBDDOMSA-N 408.311 4.921 10 1 HJCF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(Cl)c3ccccc3c2O)N1)C(F)(F)F 962728913 FZNRAUMUXZLJIV-ZWKOTPCHSA-N 405.803 4.934 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2O)N1 587715948 YYAUFRMBDLDGJX-PWJLMRLQSA-N 404.201 4.936 10 1 HJCF O=c1cc(-c2cc(O)c(O)cc2Cc2ccc(Cl)cc2)oc2cc(O)cc(O)c12 653827644 AEKKYTSUVGCVBE-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3cccc(Cl)c3)cc(O)c21 653848282 GMKKEQXMXIFZNF-MJICGBHWSA-N 420.848 4.664 10 1 HJCF CCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 26379475 DYPJZYPWSRIQCF-UHFFFAOYSA-N 414.454 4.848 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccnnc4)cc3)C2)cc1 96172985 YLYWICREGKMXKE-GOSISDBHSA-N 417.509 4.519 10 1 HJCF O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1Nc1c2ccccc2nc2ccccc12 5597144 RDKYVIGKOPILFC-UHFFFAOYSA-N 416.353 4.530 10 1 HJCF COc1ccc(C(=O)N[C@@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)cc1 37867234 RVZSTPJGDWAULM-LJQANCHMSA-N 408.841 4.715 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OC)ccc12 29480912 DGOFHCIIKSVFGC-UHFFFAOYSA-N 422.510 4.553 10 1 HJCF CCO[C@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 587014240 JVBUWPDYMKLWGT-GFCCVEGCSA-N 417.490 4.868 10 1 HJCF CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 96909795 VQUAMUPQXONTLJ-YBEGLDIGSA-N 403.912 4.923 10 1 HJCF O=c1cc(-c2cc(O)c(O)c(Cc3cccc(Cl)c3)c2)oc2cc(O)cc(O)c12 653835448 KOWNWOCCOXNHIC-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)cc1 1857656006 HLUNOBJHJQIVDZ-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(-c2ccc(Cl)cc2)[n+]3C)cc1 5582530 SGJIKSIHBUDASK-UHFFFAOYSA-N 412.944 4.851 10 3 HJCF Oc1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1 96198911 LMFUUXPZICCZRG-AUSIDOKSSA-N 406.869 4.997 10 1 HJCF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1CCC1 149643577 KCODMIRTPWMFRD-LJQANCHMSA-N 418.581 4.927 10 1 HJCF COc1ccc(C/N=N/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 169693950 DTCAZQMRLZYYIH-SHHOIMCASA-N 400.438 4.687 10 1 HJCF COc1ccc(/C=C\Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c1 587929338 NOKWGNLXHHXKSH-WAYWQWQTSA-N 424.456 4.611 10 1 HJCF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587041054 UUBKYZNPRJZFGY-SFHVURJKSA-N 412.515 4.920 10 1 HJCF COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1 474609845 WDTNBJBLHDLYQM-QAUBOBILSA-N 411.505 4.800 10 1 HJCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(Br)c1[N+](=O)[O-] 587936181 GPMUPJRZNDMQIY-UHFFFAOYSA-N 421.272 4.894 10 1 HJCF COc1ccc2c(c1)c([C@H]1NCCc3nc4ccccn4c31)c(C)n2Cc1ccccc1 962985844 HWALNYRBUBTKRZ-AREMUKBSSA-N 422.532 4.889 10 1 HJCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)Nc1ccc(O)cc1 1857765777 QQRKCTUAFGPNHV-XCVCLJGOSA-N 403.390 4.574 10 1 HJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 2936823 CFJUHATZZKCPLD-JPYJTQIMSA-N 424.859 4.887 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)cc1 72174722 VSUUEKWKDDDHRP-NRFANRHFSA-N 403.507 4.949 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC(OC)C4)cc3)C2)cc1 96173015 IGTRSRSOEILNLS-NWKXHEKXSA-N 423.553 4.841 10 1 HJCF CCOC(=O)COc1cc(Br)c(C/N=N/c2ccccc2)cc1OC 169700584 PEBSOCBUAIYABE-QZQOTICOSA-N 407.264 4.684 10 1 HJCF CC1(C)O[C@H]2[C@H](O1)[C@H](CN=[N+]=[N-])O[C@H]2n1c(Cl)nc2cc(Cl)c(Cl)cc21 253712406 VFLFJSMFKWWSAY-QNWHQSFQSA-N 418.668 4.724 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2O)(C(F)(F)F)N1 587707969 YSZZNTHATJBQQN-XXFAHNHDSA-N 404.201 4.634 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccc(Cl)cc3)cc(O)c21 653848293 IYULVRMMMXRPPL-WHLIDYPQSA-N 420.848 4.664 10 1 HJCF COc1ccc(N2CCN(CCCSc3ccc(Br)cc3)CC2)cc1 28886870 PJULYXFUSQSDNI-UHFFFAOYSA-N 421.404 4.762 10 1 HJCF COc1ccc(N2CCN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 72183637 ADARUACTJDDYOD-UHFFFAOYSA-N 417.431 4.691 10 1 HJCF O=C(O)c1ccccc1/N=N/Cc1cc(Br)cc(Br)c1O 169688606 XDQWUNDPZNSJPI-ISLYRVAYSA-N 414.053 4.899 10 1 HJCF CC(C)(C)c1cc(O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611247 RSFFNEGELGDZIJ-AUSIDOKSSA-N 406.434 4.804 10 1 HJCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587764270 CVNAPMIEKOJHBY-ASSNKEHSSA-N 419.338 4.821 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCCF)cc3C)C2)cc1 1772656148 FONVXKUXVOLUGO-MBSDFSHPSA-N 414.521 4.588 10 1 HJCF [N-]=[N+]=N[C@@H](CCN1CC[C@H](NC(=O)OCc2ccccc2)CCC1=O)c1ccccc1 15937256 HWFHKCMEQYYHIQ-RTWAWAEBSA-N 421.501 4.736 10 3 HJCF O=C(Oc1cccc2ccccc12)c1cc(NCc2cc(O)ccc2O)ccc1O 13735459 OWGPFTZCQJRALJ-UHFFFAOYSA-N 401.418 4.788 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2Br)N1 587675451 BPMHAJBFVDFPGR-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF COc1cc(C2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC2)ccc1C 587927035 MXFNMXLIMSQVHR-UHFFFAOYSA-N 408.457 4.735 10 1 HJCF CCN(CC)c1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587924209 LQWIOHJBBZWIGL-UHFFFAOYSA-N 401.557 4.695 10 1 HJCF COc1ccc(Nc2cc(-n3c(C)cc4c3CC(C)(C)CC4=O)ccc2C(N)=O)cc1 36487440 OWSIHWQXSVOXSU-UHFFFAOYSA-N 417.509 4.792 10 1 HJCF Cc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 653796409 MKYFOXDIQDFAKO-DHZHZOJOSA-N 405.523 4.607 10 1 HJCF CC(C)N1CCN(c2ccc3c(c2)[C@@H]2CCN(C(=O)OCc4ccccc4)[C@@H]3C2)CC1 1857744166 HNYZQPGGNDYEOT-PXDATVDWSA-N 419.569 4.788 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277355 UHRZUSAOILYEDO-CRTZDJKQSA-N 409.377 4.653 10 1 HJCF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587151162 QNDPGWYYZHEXPI-NSHDSACASA-N 404.372 4.757 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2O)N1 587764885 HCZLJGXKSMSIOQ-ZSEKCTLFSA-N 419.338 4.692 10 1 HJCF CCOC(=O)c1cc(C)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1C 587943989 USIMGCFLEHUKJM-UHFFFAOYSA-N 413.420 4.906 10 1 HJCF NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26842754 SKTFRVLCRBGTCJ-UHFFFAOYSA-N 420.538 4.612 10 1 HJCF Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)cc(C)c3c2)cc1 28568864 ACSLJTYYCFGVHX-JLHYYAGUSA-N 402.542 4.501 10 1 HJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)c2ccc(F)cc2C[C@@H]2CCCN21 963095990 FEBXMUXQWUSBBP-LAUBAEHRSA-N 418.306 4.537 10 1 HJCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=N)O)cccc12 26840923 GJSWYLROTGZYES-UHFFFAOYSA-N 420.494 4.695 10 1 HJCF CN(C)c1ccc(CNCC[C@@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 73164022 OVRCVYWNUUCNIN-QHCPKHFHSA-N 402.538 4.988 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2Br)N1 587679406 QPTMAXGHVWVJFL-VPTHRUTESA-N 415.100 4.680 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1 587718271 HYTTZMLASDBAEV-ZKANADHPSA-N 420.200 4.816 10 1 HJCF O=C1c2ccccc2C(=O)c2oc(C(=O)N3CCC(c4cccc(Cl)c4)CC3)cc21 1857542926 ZERCLHFEWKRQHE-UHFFFAOYSA-N 419.864 4.728 10 1 HJCF CC(C)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793555 NONVOVDTIYDHSU-YUNKPMOVSA-N 408.311 4.952 10 1 HJCF CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772571297 LTSIWUNXSOEBFO-UUOWRZLLSA-N 423.557 4.513 10 1 HJCF CC1(C)CCc2c(c3c(c4c2OC(=O)C[C@@H]4c2ccc(O)c(O)c2)OC(C)(C)CC3)O1 14676646 XBSCKUGYKLNPGR-MRXNPFEDSA-N 424.493 4.746 10 1 HJCF biogenic COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N4CCC(C)CC4)cc3)C2)cc1OC 1857546950 DMPXKVRBWCJZLR-QHCPKHFHSA-N 421.541 4.638 10 1 HJCF Cc1cc2c(cc1C)-c1oc(CN3CCN(c4ccccc4)CC3)c(C)c1C(=O)C2=O 1857745264 PIEKIMLDOPPNMJ-UHFFFAOYSA-N 414.505 4.573 10 1 HJCF CN1CCC(NCc2ccc([C@@H]3Nc4c(F)cc(F)cc4[C@@H]4C=CC[C@@H]43)cc2)CC1 84668789 SSLSWWQENAPOFG-DPLHUUCSSA-N 409.524 4.975 10 1 HJCF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@@H](C)CC)cc3)C2)cc1 1772582087 MWBXSYQNWUKSPG-XLNZFTOWSA-N 410.558 4.761 10 1 HJCF CN(C)c1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 26938190 CZTGQOFZYALMGA-UHFFFAOYSA-N 406.511 4.569 10 1 HJCF C[C@@H]1CN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 34633740 XCYNCNLEMXFZEX-NFQMXDRXSA-N 413.565 4.685 10 1 HJCF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N)cc3)nc21 45245959 SATMQUWVFQUXMV-UHFFFAOYSA-N 412.280 4.628 10 1 HJCF CC(C)Oc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772607755 HPJQCVXDXGPTJV-HSZRJFAPSA-N 401.466 4.566 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3cccnc3)ccc2O)N1 587780263 ZPCRBQQKPYENDN-QKVFXAPYSA-N 413.290 4.979 10 1 HJCF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1ccc(O)c(O)c1 587864728 NYNAUQFSVKWEJO-UHFFFAOYSA-N 420.387 4.652 10 1 HJCF O=C(OCCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735435 NOUZMATVVALGPU-UHFFFAOYSA-N 407.466 4.595 10 1 HJCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 29044755 XXIDJQPCNSHLTE-NRFANRHFSA-N 403.507 4.954 10 1 HJCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cccc(Br)c1[N+](=O)[O-] 587936485 JRYLGEPLRAIJQE-UHFFFAOYSA-N 415.243 4.832 10 1 HJCF CCN1c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C 587757690 BEUSWLBHEOPQLT-QRQYBIJMSA-N 403.339 4.983 10 1 HJCF CCCCc1ccc(CCNCCCCCCNCCc2ccc(O)c(O)c2)cc1 45227463 HEBGYZPTIMZIGT-UHFFFAOYSA-N 412.618 4.965 10 1 HJCF CC(=O)c1cc(C)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587819605 BJGPEZHUOPKRDH-GIPWTMENSA-N 406.295 4.603 10 1 HJCF O=C(C(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587522146 HSLYNAMGGGLRPN-HHHXNRCGSA-N 410.469 4.878 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1Cc1ccco1 28653389 OJHMSTRHRIBWEP-KRWDZBQOSA-N 421.522 4.720 10 1 HJCF Cc1ccccc1C(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64437196 XLLXLWJIACBLHP-VWLOTQADSA-N 421.500 4.785 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 72175207 SZGVZXBLXZBTLX-FQEVSTJZSA-N 403.507 4.949 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1 587724149 DYVASCPLYQHEBY-MPBGBICISA-N 407.302 4.951 10 1 HJCF CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 5138554 JCZWUYIXVYHWDE-UHFFFAOYSA-N 406.511 4.569 10 1 HJCF COc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587771742 XIODREGNIDCRPE-CQSZACIVSA-N 419.338 4.627 10 1 HJCF CN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 13587757 ZKEMCNKKDNAEQU-NDEPHWFRSA-N 424.544 4.527 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1 587764883 HCZLJGXKSMSIOQ-LRTDBIEQSA-N 419.338 4.692 10 1 HJCF C[C@@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351710 JIAFANBVXFQJBV-VWNXMTODSA-N 408.425 4.693 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21 587153279 XSDLKTVQMOIAAT-HZPDHXFCSA-N 400.384 4.888 10 1 HJCF C[C@H](NC(=O)C(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149934352 QIBANHPIRAHSPJ-HNNXBMFYSA-N 400.469 4.522 10 1 HJCF COc1ccc(N2CCN(Cc3coc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 72184776 QGNSPEWRDYOAEI-UHFFFAOYSA-N 418.324 4.979 10 1 HJCF COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 96285591 PKMRXANSPAEPRV-UHFFFAOYSA-N 415.537 4.909 10 1 HJCF COc1ccc2c(c1)C[C@@H](c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)CC2 587945034 DPGJWKNICFAUNP-HNNXBMFYSA-N 408.457 4.619 10 1 HJCF O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)ccc3ccc(O)cc23)c2ccccc12 13864570 RRKDZMJUDHKNII-QURGRASLSA-N 410.407 4.772 10 1 HJCF O=C(c1ccc(-c2ccccc2)[nH]1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294781 MOCOGWBLXIBCJH-QHCPKHFHSA-N 408.461 4.774 10 1 HJCF CC(C)CCn1c(O)c(/N=N/C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 101916846 ZHXRTLIKXPHLFS-WCWDXBQESA-N 407.396 4.919 10 1 HJCF O=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(F)cc1 218266286 UYBQWVKZAABVSG-UHFFFAOYSA-N 407.510 4.725 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2O)CCCC3)N1 587831556 IBGAGECWENLVEL-GTJPDFRWSA-N 404.323 4.970 10 1 HJCF COc1ccc(-c2nc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccn23)cc1OC 72108178 SNRCLNQNJQCCDM-OBGWFSINSA-N 411.461 4.536 10 1 HJCF COc1ccccc1[C@H]1CC(c2ccccc2O)=NN1C(=S)Nc1ccccc1 40836305 YJYMBEITSQJHQW-HXUWFJFHSA-N 403.507 4.949 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@H]2c2ccc(O)cc2)cc1 29044905 LQFZFLSNDAAILJ-NRFANRHFSA-N 419.506 4.655 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2O)N1 587710711 HOQCJDXDYAQNRD-AYVTZFPOSA-N 404.201 4.936 10 1 HJCF O=C(COc1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccc(Cl)cc12 617960080 RSPYIJZTIMYZHK-UHFFFAOYSA-N 408.639 4.979 10 1 HJCF CCOc1ccc(OCC)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587778135 JWVMKVJJPSNJDB-UHFFFAOYSA-N 412.445 4.803 10 1 HJCF CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[n+](C)c3ccccc23)cc1 169334185 BIRUVDOAISLPCF-UHFFFAOYSA-O 406.531 4.713 10 1 HJCF Cc1ccc2c3c(cc(-c4ccc(O)c(CN(C)C)c4O)nc13)-c1ccccc1C2=O 586995482 HKFIIURNRAOZQY-UHFFFAOYSA-N 410.473 4.894 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c(F)c2)N1 587724151 DYVASCPLYQHEBY-YUNKPMOVSA-N 407.302 4.951 10 1 HJCF Cc1cc(C)c(O)c([C@]2(CCC(=O)O)c3ccsc3CCN2Cc2cccnc2)c1 963010271 MPQUEOWGRLVKEL-DEOSSOPVSA-N 422.550 4.632 10 1 HJCF COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cccc(OC)c3O)C2)cc1 59503791 YVNJNXZZQKGPKQ-SQJMNOBHSA-N 418.493 4.641 10 1 HJCF CCC(=O)N[C@H](c1ccc(Br)o1)c1cc(Cl)c2cccnc2c1O 38141982 RRKCLBNDKRYVRP-HNNXBMFYSA-N 409.667 4.565 10 1 HJCF COc1cc(/N=N/c2cc(C)c(O)c(C)c2)ccc1S(=O)(=O)Nc1ccccn1 103283647 ZQLWHZAQJSYSRK-GHVJWSGMSA-N 412.471 4.629 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2O)N1 587722378 YOCCDFCXXDYDRW-CQLKUDPESA-N 402.666 4.884 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccnc3)ccc2O)N1 587780265 ZPCRBQQKPYENDN-XUSGNXJCSA-N 413.290 4.979 10 1 HJCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C[C@@H](SCCO)c1cc(C(C)C)c(O)c(O)c12 1857569652 UTSXGTYDVACZSY-SAHWJRBASA-N 422.587 4.629 10 1 HJCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccccc1C(=O)O 169330059 CKPPSWBQSHVXOK-QURGRASLSA-N 413.846 4.851 10 1 HJCF COc1ccc2c(c1)cc(C)n2Cc1cc(CN2CCCC2)c(O)c2ncccc12 1857647052 WTSZYLJWWDLTMZ-UHFFFAOYSA-N 401.510 4.856 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2O)(C(F)(F)F)N1 587707967 YSZZNTHATJBQQN-JDNHERCYSA-N 404.201 4.634 10 1 HJCF C[C@@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857560801 APENINWAKNLZAY-SNVBAGLBSA-N 408.260 4.615 10 1 HJCF COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O 587786829 YGNQRRLGUALFSI-IHWYPQMZSA-N 400.740 4.705 10 1 HJCF Cc1cnc(SC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587855768 WADGDIZZHLGADR-XXFAHNHDSA-N 401.370 4.895 10 1 HJCF CN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40847917 NBZYZTVBQAMUSF-RUZDIDTESA-N 416.565 4.511 10 1 HJCF C[C@H](NC[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1)c1ccccc1 40863286 RRMUHRIOLPPZTC-OFVILXPXSA-N 416.565 4.730 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2O)N1 587677815 MAYJQDUHNGGFPJ-GLEZIHRCSA-N 415.100 4.680 10 1 HJCF Cc1nc(Br)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587012460 YEGCNDCJGYESJW-UHFFFAOYSA-N 424.279 4.533 10 1 HJCF CC(=O)Nc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388929 HVKYWMBHNAHXFZ-HSZRJFAPSA-N 403.482 4.650 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)CCCC3)N1 587835415 WAKBCWZSAPSVEP-QKVFXAPYSA-N 404.323 4.970 10 1 HJCF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(Cl)c3ccccc3c2O)N1)C(F)(F)F 962728906 FZNRAUMUXZLJIV-MSOLQXFVSA-N 405.803 4.934 10 1 HJCF CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1 18085331 REHIRLWIZZMGLP-QPLCGJKRSA-N 416.481 4.988 10 1 HJCF COc1ccc(C2=C(C3CC3)[C@@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 103151882 MWFVRYTZRBBDPI-GJZUVCINSA-N 411.457 4.501 10 1 HJCF CC(C)OC(=O)C1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC(F)(F)C1 587131838 VFJRRVXSCJDMRS-UHFFFAOYSA-N 401.413 4.556 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2O)N1 587680725 PVTFHNGJRSAMQG-PWJLMRLQSA-N 415.100 4.680 10 1 HJCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587764271 CVNAPMIEKOJHBY-LRTDBIEQSA-N 419.338 4.821 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCCF)cc3C)C2)cc1 1772656147 FONVXKUXVOLUGO-FDDCHVKYSA-N 414.521 4.588 10 1 HJCF Cc1cnc(SC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853145 KZMPYYZGKKUESA-ABKXIKBNSA-N 401.370 4.895 10 1 HJCF Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)c3ccsc3CCN2Cc2cccnc2)c1 963010287 MPQUEOWGRLVKEL-XMMPIXPASA-N 422.550 4.632 10 1 HJCF COc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3cccc(C)c3)c2C)cc1 5541998 KEAJVNUOBFUUAU-OCOZRVBESA-N 405.458 4.901 10 1 HJCF Oc1c([C@H]2c3ccsc3CCN2Cc2cccnc2)cc2c3c1CCCN3CCC2 963000748 WUERIKZNXOCUIL-XMMPIXPASA-N 417.578 4.695 10 1 HJCF CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 40879939 IMEMWALEWHPYAB-UHFFFAOYSA-N 401.422 4.542 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccnc3)ccc2O)N1 587779575 UIBZLCHLMBFGRP-QKVFXAPYSA-N 413.290 4.979 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2O)(C(F)(F)F)N1 587701927 DBSPFPBXXUSRPW-JDNHERCYSA-N 404.201 4.634 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3C)C2)cc1 1772571405 TTYOHSTWNLBRSU-UUOWRZLLSA-N 408.542 4.639 10 1 HJCF COc1ccc(C2=C(C3CC3)[C@@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 103151886 MWFVRYTZRBBDPI-ATIYNZHBSA-N 411.457 4.501 10 1 HJCF COc1cc2cc3c(nc2c(Cn2ccnc2C)c1O)-c1ccc(F)cc1SC3 103268091 CAKUVDJIMWDKLL-UHFFFAOYSA-N 407.470 4.914 10 1 HJCF COc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 587348339 WECOVLTUPQNKPL-ZCYQVOJMSA-N 419.452 4.548 10 1 HJCF Cc1nn2c(-c3ccccc3)ccnc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O 1772643208 HMGAWCIFNUHAOC-CYYJNZCTSA-N 423.480 4.918 10 1 HJCF C[C@@H]1CN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 13607710 XCYNCNLEMXFZEX-HRFSGMKKSA-N 413.565 4.685 10 1 HJCF CCCCOc1cc(O)c2c(=O)c(OCCCC)c(-c3ccc(O)c(O)c3)oc2c1 299836079 YMOQSENQIXUPOV-UHFFFAOYSA-N 414.454 4.935 10 1 HJCF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1 1542115 KFNBERZIJGZUQL-UHFFFAOYSA-N 419.569 4.646 10 1 HJCF C[C@@H]1Cc2cc(OC(=O)c3ccc(O)cc3)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 31169396 PLKYOINBEDTBHH-KPVUDJQRSA-N 420.461 4.688 10 1 HJCF biogenic COc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)c1 72170644 DTRZCZVFDBAVCO-NRFANRHFSA-N 403.507 4.949 10 1 HJCF Cn1cc(/C=C2\C(=O)NN=C2c2cccs2)c2c(OCc3ccccc3)cccc21 73160972 ZDHKUEIMKDKNET-AQTBWJFISA-N 413.502 4.736 10 1 HJCF COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1C12CC3CC(CC(C3)C1)C2 84602544 MZAJLDVRKVEVKU-UHFFFAOYSA-N 407.510 4.504 10 1 HJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696952 VFLBCXZVYDRSHW-RBHXEPJQSA-N 400.675 4.579 10 1 HJCF C[C@H]1CCCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)C1 101725533 IMMPVJOYMMGXIR-ZDUSSCGKSA-N 421.522 4.832 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041377 NCQHWRVXBAXHFW-FGZHOGPDSA-N 402.523 4.884 10 1 HJCF C[C@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173528 CWLUMVDZCROKGV-HSZRJFAPSA-N 403.413 4.705 10 1 HJCF CC(=O)c1cc(C)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587820819 FMMCQXSHMLOGBB-GIPWTMENSA-N 406.295 4.603 10 1 HJCF CC(C)(C)NC(=O)[C@H]1c2c(O)cccc2C(=O)N1Cc1ccccc1-c1ccccc1 144900901 DMHZIQWWOAXLEG-HSZRJFAPSA-N 414.505 4.671 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(O)cccc2F)(C(F)(F)F)N1 587706218 PIZPOSVHZFUOQI-BCTVWOGZSA-N 422.191 4.773 10 1 HJCF COc1cc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1O 20036114 JIJUNVBLNUUGJC-NRFANRHFSA-N 417.465 4.568 10 3 HJCF CCN(CC)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc(N)cc1 27714325 GDKPZAFLXIIPIQ-UHFFFAOYSA-N 416.569 4.871 10 1 HJCF Oc1ccc2[nH]c(-c3cccc(F)c3)nc2c1CN1CCC(O)(c2ccccc2)CC1 45210741 UDQVOUHNTCFWMR-UHFFFAOYSA-N 417.484 4.558 10 1 HJCF Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1 96198906 LMFUUXPZICCZRG-CVDCTZTESA-N 406.869 4.997 10 1 HJCF CCCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587822613 PSDRPXQEKKZUAO-PRWKNARSSA-N 408.311 4.750 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(F)cc12 5138622 POACKDBZLPIQDR-UHFFFAOYSA-N 411.458 4.651 10 1 HJCF COc1ccc(C2=NN[C@@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1 28824772 DPMMJDFRISXTPA-DEOSSOPVSA-N 415.518 4.841 10 1 HJCF Oc1ccccc1CNc1nc(Br)c2ncccc2c1-c1cccnc1 621430164 BVJHPSCDKRDBAW-UHFFFAOYSA-N 407.271 4.772 10 1 HJCF C[C@@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C=C(c2ccccc2F)NO1 587156460 NPLDLXZZWVDQDP-QHCPKHFHSA-N 402.429 4.868 10 1 HJCF COc1cc2c3c(c1)O[C@](CSc1ncc(C)s1)(c1cccs1)[C@@H](C2)C3=O 587452082 QHMQIOWMVFTCKJ-XOBRGWDASA-N 415.561 4.957 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)F)c2O)N1 587717826 GRWXRWYTRQCBIM-GLEZIHRCSA-N 420.200 4.816 10 1 HJCF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587796471 KLLOTJPDZLGZDB-PRWKNARSSA-N 408.311 4.799 10 1 HJCF Oc1cc(O)cc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)c1 653819851 NJCTXDBXNDOYQZ-UHFFFAOYSA-N 414.530 4.835 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)cc1 586998150 YFSDDHGPDHMGQA-LJQANCHMSA-N 410.271 4.782 10 1 HJCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccccc4)c3F)cc12 1857569259 LYEHMUUHFRMLQJ-OCEACIFDSA-N 408.368 4.912 10 1 HJCF CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)c(CN3CCCCC3)c12 1772638679 WQGJFPPDFDWAAB-UHFFFAOYSA-N 409.482 4.977 10 1 HJCF COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1Br 5876734 XQRKUHXBPZDUEA-OQLLNIDSSA-N 405.679 4.917 10 1 HJCF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772622234 TXDLLHWRJXBKGK-MHECFPHRSA-N 408.542 4.720 10 1 HJCF Nc1ccc(Oc2ccc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3c2)cc1 586996328 FMVPBJQSUNNRBQ-GOSISDBHSA-N 423.314 4.942 10 1 HJCF COc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587785440 LXYLMGBKBDLSQR-SNAWJCMRSA-N 419.275 4.703 10 1 HJCF O=C(NCc1cc(F)c(N2[C@H]3CCC[C@@H]2CC3)cc1F)Nc1cccc2[nH]ncc12 14973559 ZNQKOBGZYQOJJS-GASCZTMLSA-N 411.456 4.684 10 1 HJCF CCN(CC)CCC1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 28521671 NVBXFYRVSMCVKN-UHFFFAOYSA-N 420.340 4.636 10 1 HJCF COC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26849791 NEGFWZZZNUOKMQ-UHFFFAOYSA-N 421.478 4.664 10 1 HJCF NC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 71295996 MFQBFOCUGSCKOK-QFIPXVFZSA-N 417.896 4.561 10 1 HJCF CCCCNC(=O)Oc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)[C@H]1N2C 169341054 QWMLKUNOQCZIKT-QHCPKHFHSA-N 404.514 4.563 10 1 HJCF COc1ccc(/N=N/c2cccc(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2)cc1 1857602692 ITCOZRYRTPXZEE-OCOZRVBESA-N 402.414 4.643 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@H]2c2ccccc2O)cc1 29045064 HUHNAEABSPYMME-FQEVSTJZSA-N 419.506 4.655 10 1 HJCF CN1CCN(c2ccc(OCc3ccccc3)c(NCCc3ccccc3)c2)CC1 28955784 QFZMKTVOJUEHMG-UHFFFAOYSA-N 401.554 4.672 10 1 HJCF CCN(CC)c1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95586066 SPOADXIYHPOBHR-UHFFFAOYSA-N 400.588 4.975 10 1 HJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(NC(C)=O)cc4)c1C)[C@@H](C2)C3=O 587432061 UBWFKDOAGCZBAJ-OFVILXPXSA-N 416.477 4.550 10 1 HJCF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C1CCC1 149643405 KCODMIRTPWMFRD-IBGZPJMESA-N 418.581 4.927 10 1 HJCF CCCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCCC3)CN(C)[C@@H]1C2 27726253 FDACMHLPWDJVGK-ZFJSRUIDSA-N 407.602 4.850 10 1 HJCF O=C1c2ccccc2C(=O)c2cc3oc(SCc4ccc([N+](=O)[O-])cc4)nc3cc21 299828948 SNLMYGOFFJFDTO-UHFFFAOYSA-N 416.414 4.804 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccc(Cl)cc3)cc(O)c21 653848292 IYULVRMMMXRPPL-OAJJDEHYSA-N 420.848 4.664 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3Cl)cc(O)c21 653849925 XHNRRXGQQXDWLZ-FZMUQLTDSA-N 420.848 4.664 10 1 HJCF COc1cccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)c1 4729696 COPZXFKZIQVGME-AZUAARDMSA-N 403.320 4.669 10 1 HJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3c(F)cc(OC4CC4)cc3F)C2)cc1 96172878 XVKJDMVFOJKYEU-CQSZACIVSA-N 401.453 4.856 10 1 HJCF CC(=O)c1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587820821 FMMCQXSHMLOGBB-YBTHPKLGSA-N 406.295 4.603 10 1 HJCF CCCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 653693473 YFJZCBWPMSOVFC-UHFFFAOYSA-N 415.530 4.964 10 1 HJCF CN1c2ccc(OCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 169341026 NKKITZOSLYEBJO-VWLOTQADSA-N 409.489 4.894 10 1 HJCF Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1 8636273 GUEIGILHJMNZOT-IFMALSPDSA-N 404.533 4.896 10 1 HJCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2O)(C(F)(F)F)N1 587707965 YSZZNTHATJBQQN-FVMDXXJSSA-N 404.201 4.634 10 1 HJCF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260767 DKINUNFLGYOXDJ-UHFFFAOYSA-N 406.398 4.530 10 1 HJCF CCOC(=O)CCC[C@@]1(c2ccc(N(C)C)cc2)c2c(F)cccc2C[C@H]2CCCN21 963091919 AEZGSUKJEFTDDC-ATIYNZHBSA-N 424.560 4.889 10 1 HJCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C[C@H](SCCO)c1cc(C(C)C)c(O)c(O)c12 1857569651 UTSXGTYDVACZSY-HKARXFIJSA-N 422.587 4.629 10 1 HJCF CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O 1508402 PZORQKXJGYXRAT-UHFFFAOYSA-N 406.504 4.696 10 1 HJCF O=C1c2ccccc2-c2c1c1ccc(C(F)(F)F)cc1c(=O)n2CCCn1ccnc1 473167336 HTKJYTJJWBCHFZ-UHFFFAOYSA-N 423.394 4.519 10 1 HJCF CCc1ccc(C(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587957413 ZKZSCAJUJDUYAJ-UHFFFAOYSA-N 408.457 4.716 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)(F)F)c2O)N1 587710713 HOQCJDXDYAQNRD-VXJOIVPMSA-N 404.201 4.936 10 1 HJCF CCCN(CC1CC1)c1ncc(-c2cccc(CNCc3ccccc3O)c2)cn1 45186926 AOMJFFOSDXVKHC-UHFFFAOYSA-N 402.542 4.765 10 1 HJCF COc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2 103234448 XFPIECQWWYMYNB-UHFFFAOYSA-N 407.510 4.504 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2O)N1 587680727 PVTFHNGJRSAMQG-ZKANADHPSA-N 415.100 4.680 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COC34CC5CC(CC(C5)C3)C4)[nH]c21 587950492 LYOJVCOPDRZSQQ-UHFFFAOYSA-N 412.489 4.824 10 1 HJCF O=C(O)COc1ccc(Br)cc1C/N=N\c1cccc2cccnc12 169719768 HNPSBDYJCPLQMG-DQRAZIAOSA-N 400.232 4.745 10 1 HJCF NC(=O)N[C@@H](c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12 72170647 FIHDJWVEUCATJN-IBGZPJMESA-N 411.255 4.812 10 1 HJCF COc1ccc(C2=C(C3CC3)[C@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 96934552 MWFVRYTZRBBDPI-BKMJKUGQSA-N 411.457 4.501 10 1 HJCF Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cc(Cl)ccc3O)C2)cc1 299869711 VFMJZJXBURKBMB-NRFANRHFSA-N 411.933 4.518 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2O)N1 587722620 YXUXAVKHPNJNMI-RBHXEPJQSA-N 402.666 4.884 10 1 HJCF O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 40914973 GMEHQRRCSDAMMH-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746025 LAHFVYCGTFCBJO-GIGQVBGESA-N 423.282 4.562 10 1 HJCF CCN1c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C 587763428 ZABGQRAKHSWPKE-QRQYBIJMSA-N 403.339 4.983 10 1 HJCF CC(=O)c1cc(C)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587820820 FMMCQXSHMLOGBB-PRWKNARSSA-N 406.295 4.603 10 1 HJCF Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1O 218856233 MRDNJKJTILQFEL-UHFFFAOYSA-N 417.383 4.860 10 1 HJCF COc1ccc2nc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)sc2c1 587034946 KOVRRAZHIMKJGR-UHFFFAOYSA-N 411.442 4.624 10 1 HJCF [N-]=[N+]=NC[C@H]1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1 225135002 GPTVSJUXGQQYRI-VIFPVBQESA-N 409.500 4.753 10 1 HJCF CCOc1ccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587429388 CARDPAJGWVRWCL-PXDATVDWSA-N 403.478 4.990 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1 587718270 HYTTZMLASDBAEV-VPTHRUTESA-N 420.200 4.816 10 1 HJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Cl)c2)N1 2936774 OMFZVGUPSCXDJB-WMZHIEFXSA-N 406.869 4.748 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2O)N1 587679314 MWIJMIOUQJPTGO-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF O=C1CSC(=S)N1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 103265673 RCPUOBRGLFZQQT-HNNXBMFYSA-N 415.927 4.534 10 1 HJCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3c2CCCC3)cc1 103278194 RBJRQPQNCNYSPX-WCWDXBQESA-N 408.483 4.882 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3cccnc3)ccc2O)N1 587780262 ZPCRBQQKPYENDN-LAJNKCICSA-N 413.290 4.979 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(Br)cc1 1772653854 DJLLZKCJKYHTCZ-FQEVSTJZSA-N 422.282 4.541 10 1 HJCF CN1CCc2c(Br)cccc2[C@@H]1c1cc(F)c(Br)cc1O 963290971 ZEBRPOGKEFPMTC-MRXNPFEDSA-N 415.100 4.634 10 1 HJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1OC 26846935 LPKVIKYPCOLEQQ-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF Cc1cc(-c2csc(CC(=O)NCc3ccco3)n2)c(C)n1-c1ccccc1F 26158988 FGPNCZORTMASLF-UHFFFAOYSA-N 409.486 4.809 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2O)N1 587681336 SFKWCTDUWXGOMF-ZKANADHPSA-N 415.100 4.680 10 1 HJCF CC(C)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587793518 NJXOOIUDKCCHID-ODXCJYRJSA-N 408.311 4.952 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1 587830291 DMRUBBUMKGPPJN-PRWKNARSSA-N 406.295 4.633 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(C)(C)F)cc3)C2)cc1 1772654711 LAGAVCVNMCQFEZ-SBUREZEXSA-N 414.521 4.668 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2O)N1 587679328 MWIJMIOUQJPTGO-ZKANADHPSA-N 415.100 4.680 10 1 HJCF Cc1sc2c(c1C)CCN[C@@H]2c1cc(C)n(-c2ccc(O[C@H](C)C(=O)O)cc2)c1C 963016108 XKUUKSLLOUHTGT-OPAMFIHVSA-N 424.566 4.859 10 1 HJCF CC1(C)O[C@@H]2[C@@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879381 VFLFJSMFKWWSAY-FDYHWXHSSA-N 418.668 4.724 10 1 HJCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1 40422781 XXIDJQPCNSHLTE-OAQYLSRUSA-N 403.507 4.954 10 1 HJCF Oc1cc2c(cc1O)[C@@H](c1ccccc1)N(C(=S)NCc1ccc(Cl)cc1)CC2 1857558399 XHCGYURRAWNFMJ-JOCHJYFZSA-N 424.953 4.773 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO 95795568 RALVQQBRBHDDHS-IEZKXTBUSA-N 408.586 4.925 10 1 HJCF O=C1N=C(N2C=CC(c3ccncc3)C=C2)/C(=C/N=N/C(=O)c2ccccc2)S1 169693888 KETCUOOWMNSTRH-NQRAJVRSSA-N 401.451 4.908 10 1 HJCF COc1ccc([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2ccc(OC)cc2)cc1 169328940 BJOJRMOVMBQJIE-JOCHJYFZSA-N 401.466 4.882 10 1 HJCF COc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587767683 JTOSKFDQDVLNJO-AWEZNQCLSA-N 419.338 4.627 10 1 HJCF COc1cc2c(cc1OC)[C@@](C)(c1cc(OC)c3ccccc3c1O)N(C)[C@@H](C)C2 962639510 WHMNZUOPRQGCSO-MQNRADLISA-N 407.510 4.711 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc(-c4ccco4)n3)[nH]c21 587017588 NRDPVYJJPQPDCK-UHFFFAOYSA-N 411.442 4.646 10 1 HJCF CCCc1c(O)ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587824317 ZPLZMZKJJXIFNU-PRWKNARSSA-N 408.311 4.750 10 1 HJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2cc1[N+](=O)[O-] 587276855 OEXDMIDMLGPGMP-ARGWCVDVSA-N 405.414 4.823 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2O)N1 587723189 VKWYLUTWACCKMD-AYVTZFPOSA-N 420.200 4.816 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3cccc(Cl)c3)cc(O)c21 653848281 GMKKEQXMXIFZNF-JXTAAOLFSA-N 420.848 4.664 10 1 HJCF CN(C)C(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 1857565535 BPWVZBNXFFHGMY-UHFFFAOYSA-N 422.492 4.629 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)O2 587386485 JPNWTTAJIPOYMN-UHFFFAOYSA-N 415.537 4.618 10 1 HJCF O=C1N=C(N2C=CC(c3ccncc3)C=C2)/C(=C/N=N/C(=O)c2ccccc2O)S1 169689015 GKPHOFOXTXCXLJ-YUXDYROWSA-N 417.450 4.613 10 1 HJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(N3CCCC3)cc2)N1 963189869 XJHCEQGDHUSVFP-APWZRJJASA-N 424.850 4.647 10 1 HJCF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc12 28568552 VWCZPRFDGWCUOO-FMIVXFBMSA-N 422.960 4.846 10 1 HJCF CC[C@H](C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)c(C(=O)C(=O)OC)c2c1 587644349 VYDOIZIXBWDIHY-INIZCTEOSA-N 420.509 4.541 10 1 HJCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938220 QORVTVNYDHUBCB-UHFFFAOYSA-N 418.474 4.983 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)cc(Br)c3)[nH]c21 587161475 ROANBQNOYMPJDX-UHFFFAOYSA-N 421.225 4.907 10 1 HJCF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl 587691956 IZGCBCSXZYFSBZ-BCTVWOGZSA-N 400.675 4.579 10 1 HJCF O=c1cc(-c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2)oc2cc(O)cc(O)c12 653835481 XZAWXJHXSXFOAW-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl 13661335 PREIJVXDCSNASS-JCGVRSQUSA-N 404.249 4.751 10 1 HJCF Oc1cc(Br)c(O)c([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962705895 GAIUIIXPMBPDPN-QGZVFWFLSA-N 406.301 4.663 10 1 HJCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(O)nc2ccccc12 617960139 DCUHTNHUZXRXCI-UHFFFAOYSA-N 411.215 4.814 10 1 HJCF COc1ccc(C2=C(C3CC3)[C@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 96934551 MWFVRYTZRBBDPI-NVQXNPDNSA-N 411.457 4.501 10 1 HJCF COc1cc(-c2nc(NCc3ccc(N)cc3)c3ccccc3n2)cc(OC)c1OC 58581456 WKZYPYPQDZYOFB-UHFFFAOYSA-N 416.481 4.517 10 1 HJCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696954 VFLBCXZVYDRSHW-WNWIJWBNSA-N 400.675 4.579 10 1 HJCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 95587377 GTNUGYDKEXIIAU-UHFFFAOYSA-N 408.567 4.924 10 1 HJCF FC(F)(F)c1ccc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)cc1 653709021 KMKHTZIIYQYEHM-UHFFFAOYSA-N 424.473 4.501 10 1 HJCF Cc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(O)c(O)c3)cc2)cc1 1772637274 KMSCETIMZPEZAB-UHFFFAOYSA-N 403.478 4.793 10 1 HJCF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586951390 ZRLHRFLDSBUWFL-UHFFFAOYSA-N 422.510 4.755 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2)N1 587767544 RNZQPSRKWRJLMB-QKKBWIMNSA-N 403.339 4.986 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2O)N1 587680724 PVTFHNGJRSAMQG-BCTVWOGZSA-N 415.100 4.680 10 1 HJCF O=C1c2ccccc2C(=O)c2c1cccc2C1=CCN(C(=O)OCc2ccccc2)CC1 1857575478 MFDCBCXPOJIVAP-UHFFFAOYSA-N 423.468 4.888 10 1 HJCF CCCc1c(O)ccc2c1O[C@](C(=O)C(=O)c1ccccc1)(c1ccccc1)CC2=O 587479213 CCGGOKIBCOWCPG-SANMLTNESA-N 414.457 4.657 10 1 HJCF CC(C)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587821019 GKMSTJBJWLFDPT-BIBXISHDSA-N 408.311 4.921 10 1 HJCF O=c1c2cn[nH]c2c2ccc(-c3cncnc3C3CCCC3)cc2n1CC(F)(F)F 205038601 OJBJDYSHRFHMKF-UHFFFAOYSA-N 413.403 4.555 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)CCCC3)N1 587835980 YYZUPUARHGFERE-QKVFXAPYSA-N 404.323 4.970 10 1 HJCF O=C([C@H]1Cc2ccccc2[C@H](c2cc(Cl)c3ccccc3c2O)N1)C(F)(F)F 962728909 FZNRAUMUXZLJIV-QZTJIDSGSA-N 405.803 4.934 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(Br)c1 45261038 WSOXIWCYAAHEON-FQEVSTJZSA-N 422.282 4.541 10 1 HJCF CCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587786015 RDXNDARVYVLJGN-PLNGDYQASA-N 419.275 4.704 10 1 HJCF Cc1ccc(NC(=O)Cn2c(O)c(N=NC(=O)c3ccncc3)c3ccccc32)cc1 253981796 VIPLVVKHHTXKIW-UHFFFAOYSA-N 413.437 4.613 10 1 HJCF CC[C@]1(c2cc(F)ccc2O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962964274 ZSJLOODRZPPEOZ-OAQYLSRUSA-N 409.423 4.855 10 1 HJCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CN(C)C)ccc3[C@@H]2OC(C)=O)cc1 13760863 SNGKMEGHOVULOS-ZEQRLZLVSA-N 422.550 4.999 10 1 HJCF CC(=O)c1cc(C)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587819603 BJGPEZHUOPKRDH-BIBXISHDSA-N 406.295 4.603 10 1 HJCF COc1ccc(N2CCN(CC[C@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1 71295957 IOJINVCHPPMEPK-SANMLTNESA-N 402.538 4.608 10 1 HJCF CN(CCO)c1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 587193054 QYYOBPYNILDOFX-UHFFFAOYSA-N 400.507 4.935 10 1 HJCF OCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 40698532 PAHKCDMECCOZGN-ZWSORDCHSA-N 420.500 4.559 10 1 HJCF Cc1cnc(SC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853154 KZMPYYZGKKUESA-FVMDXXJSSA-N 401.370 4.895 10 1 HJCF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587704250 ICRDFQWYERSDDI-DYZYQPBXSA-N 418.228 4.942 10 1 HJCF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1cccs1 587944445 GNQUZMLHLQVLCV-GOSISDBHSA-N 406.410 4.856 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 29045225 RWIHPRNPHNOFGB-IBGZPJMESA-N 419.506 4.655 10 1 HJCF CCC(=O)N[C@@H](c1ccc(Br)o1)c1cc(Cl)c2cccnc2c1O 36380480 RRKCLBNDKRYVRP-OAHLLOKOSA-N 409.667 4.565 10 1 HJCF Cc1ccc(C)n1-c1c(F)c(F)c(-c2nc3cccc(C(=O)O)c3[nH]2)c(F)c1F 168569845 SPMMQCWTFYZQST-UHFFFAOYSA-N 403.335 4.892 10 1 HJCF CCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26842283 IVUOEDVGCCLKCS-UHFFFAOYSA-N 407.495 4.902 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2O)(C(F)(F)F)N1 587707962 YSZZNTHATJBQQN-ABKXIKBNSA-N 404.201 4.634 10 1 HJCF CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(Cl)cc1C(=O)O 587940780 KAMOAMDDSQEQTP-UHFFFAOYSA-N 413.857 4.912 10 1 HJCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCCCCC2)cc1 169331070 IOPHJLCZSFVQHT-UHFFFAOYSA-N 410.949 4.861 10 1 HJCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccncc3)c3ccccc32)cc1 13576899 VIPLVVKHHTXKIW-CYYJNZCTSA-N 413.437 4.613 10 1 HJCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1 26851765 KEFYBKLDXOTPTB-UHFFFAOYSA-N 406.511 4.853 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@H]1CC=C[C@@H]21 587277527 XPCWSMPKXZKVSK-GTQRCTGISA-N 418.453 4.767 10 1 HJCF CCOc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587772304 ZRPCXMJTXMAZMD-QKKBWIMNSA-N 419.338 4.627 10 1 HJCF COc1cc(OC)c2c(C)[n+](-c3cccc4c3C(=O)c3ccccc3C4=O)c(C)cc2c1 40913358 VFVDOKINVMPQFN-UHFFFAOYSA-N 424.476 4.526 10 1 HJCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc2c1 29468765 WCUYQCNHJGGBEI-UHFFFAOYSA-N 421.526 4.587 10 1 HJCF Cc1cccc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c1 653784947 BHJCLFGCGJHKTK-JXMROGBWSA-N 405.523 4.607 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1Br 45319436 JXFOEDXHFNTIKG-HXUWFJFHSA-N 422.282 4.541 10 1 HJCF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2O)N1Cc1ccccc1 73242994 KAHZOTCOQHMRTH-RDGATRHJSA-N 412.489 4.563 10 1 HJCF O=C(CCSC(=S)NCc1cccnc1)c1cn(C2CCC2)c2ncccc12 1857543454 OHTURKJJWKUXPN-UHFFFAOYSA-N 410.568 4.537 10 1 HJCF COc1ccc(CN2CCc3c(cc(O)c(O)c3Cl)[C@@H](c3ccccc3)C2)cc1 27107021 OJEMRAPRFVDORZ-OAQYLSRUSA-N 409.913 4.950 10 1 HJCF CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772620299 DCOHSMULNHTTBG-FDDCHVKYSA-N 411.546 4.512 10 1 HJCF CC1(C)CCCN(c2ncc(-c3cccc(CNCc4ccccc4O)c3)cn2)C1 45188863 GXOLSZLSTSBXMW-UHFFFAOYSA-N 402.542 4.765 10 1 HJCF COc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)cccc3OC4)CC2)cc1 6802773 LXANSROSNDPADL-UHFFFAOYSA-N 420.534 4.587 10 1 HJCF [N-]=[N+]=NC[C@@H]1CCc2c(sc3ncnc(Nc4ccc5[nH]c(=O)sc5c4)c23)C1 207137334 GPTVSJUXGQQYRI-SECBINFHSA-N 409.500 4.753 10 1 HJCF CN1CSC(=S)N(c2c3ccccc3nc3ccc(Br)cc23)C1 34172862 RJFLSKQOHAYUJH-UHFFFAOYSA-N 404.358 4.835 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCC3)cc2)N1 587767532 RMRQDTGVIZNOEZ-QKKBWIMNSA-N 403.339 4.986 10 1 HJCF Cc1cnc(SC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855765 WADGDIZZHLGADR-ABKXIKBNSA-N 401.370 4.895 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCC(F)F)cc3)C2)cc1 1772585778 UIBOKEDAAGYOKN-AOMKIAJQSA-N 418.484 4.575 10 1 HJCF CCN1/C(=C/c2sc3ccc(C(=O)OC)cc3[n+]2CC)C=Cc2cc(OC)ccc21 5585984 OIUMLFBIJFCHFQ-UHFFFAOYSA-N 421.542 4.898 10 1 HJCF CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 18178820 CLUMUUJYJTTYQG-RPWUZVMVSA-N 403.526 4.938 10 1 HJCF CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388931 HVKYWMBHNAHXFZ-QHCPKHFHSA-N 403.482 4.650 10 1 HJCF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587929814 LVEHEHBQMMOVQY-WXTAPIANSA-N 408.457 4.792 10 1 HJCF CCOC(=O)CCC[C@]1(c2ccc(N(C)C)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963092077 AEZGSUKJEFTDDC-NVQXNPDNSA-N 424.560 4.889 10 1 HJCF c1cc(N2CCCC2)ccc1CNCCCCCNCc1ccc(N2CCCC2)cc1 1857557054 POPPZIRTHZLDBX-UHFFFAOYSA-N 420.645 4.937 10 1 HJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@H]1CN2c1ccc(OC)cc1 587485759 KEYQRNFEJHHVTM-LAVPKYONSA-N 407.510 4.746 10 1 HJCF CN(C)c1ccc(/C=C2\CCCC3=C2NC(=O)N[C@@H]3c2ccc(N(C)C)cc2)cc1 299855425 FAZVOKXWBQUNRN-WNLUNTPQSA-N 402.542 4.694 10 1 HJCF Cc1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)n1-c1cc(F)cc(F)c1 963019021 DGYHBXAFVWOYCZ-OWJWWREXSA-N 407.464 4.515 10 1 HJCF COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@@H]2N3C)c1 95573061 AOOZEYBUUVKXRR-XMMPIXPASA-N 415.493 4.813 10 1 HJCF CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)ccc12 95577822 SOWLCZJJFBRZFB-UHFFFAOYSA-N 410.514 4.920 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3cccnc3)ccc2O)N1 587779572 UIBZLCHLMBFGRP-GTJPDFRWSA-N 413.290 4.979 10 1 HJCF CCOc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 5138453 DRFGULYKMXRMQV-UHFFFAOYSA-N 407.495 4.902 10 1 HJCF CCCCNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 26935595 VYINWHFGAYMLMT-UHFFFAOYSA-N 420.538 4.792 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587697032 VQOYVJAUUKLYOS-RWBAJPLHSA-N 421.093 4.930 10 1 HJCF COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCC[C@]1(O)CC[C@@H](C)O1 14714549 MYKLWYLNYXNPHN-QDOIMOTRSA-N 422.518 4.716 10 1 HJCF biogenic O=C(O)c1cccc(/C=C2\SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 40896905 OIIVMQXUJJLONT-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1Br 45319433 JXFOEDXHFNTIKG-FQEVSTJZSA-N 422.282 4.541 10 1 HJCF CC(C)(C)NC(=O)[C@@H]1c2c(O)cccc2C(=O)N1Cc1ccccc1-c1ccccc1 144901095 DMHZIQWWOAXLEG-QHCPKHFHSA-N 414.505 4.671 10 1 HJCF COc1ccc([C@@H]2CC(c3c(O)ccc4c(-c5ccccc5)cc(=O)oc34)=NN2)cc1 45286039 LOSARFXGWIRVNJ-FQEVSTJZSA-N 412.445 4.613 10 1 HJCF COCc1cc(C)n(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c1C 653724777 RMJVTNSFQCCMDV-FQEVSTJZSA-N 421.493 4.770 10 1 HJCF Cc1sc2c(c1C)CCN[C@H]2c1ccc(Cl)c(I)c1O 963021586 JSMIAYLBPGZSDQ-ZDUSSCGKSA-N 419.715 4.564 10 1 HJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2cc1[N+](=O)[O-] 587276856 OEXDMIDMLGPGMP-LAPQFRIASA-N 405.414 4.823 10 1 HJCF Cc1c(CCOCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 653693446 PJMJEOBRUUCSTM-UHFFFAOYSA-N 419.493 4.524 10 1 HJCF CCC[C@@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2cc(Br)ccc2O)N1 4729352 ATZXGABVEIQUQJ-AZUAARDMSA-N 403.320 4.813 10 1 HJCF COc1cc(-c2ncn(C)c2-c2ccc3c(Cl)cn(C)c3c2)cc(OC)c1OC 29415637 OCFPUSJZCVLXHL-UHFFFAOYSA-N 411.889 4.925 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2O)N1 587722380 YOCCDFCXXDYDRW-RBHXEPJQSA-N 402.666 4.884 10 1 HJCF CC(C)=CCc1c(C)cc2oc3cc(O)c(O)c(CCC(C)(C)O)c3c(=O)c2c1O 238753058 WLBPRBAOWJHYPP-UHFFFAOYSA-N 412.482 4.584 10 1 HJCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764241 CMCLHIPCIQKJKL-LRTDBIEQSA-N 419.338 4.821 10 1 HJCF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1 1772623219 ABGOBVWDEDRTMP-FDDCHVKYSA-N 408.542 4.781 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(F)cccc12 5138630 GCIGNQKLKKRBPH-UHFFFAOYSA-N 411.458 4.651 10 1 HJCF CCN(CC)c1ccc(OCCCCCOc2cccc(NC(N)=S)c2)cc1 53275880 JEEBAKYPJJQCMT-UHFFFAOYSA-N 401.576 4.816 10 1 HJCF COc1cccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)c1 4729697 COPZXFKZIQVGME-QUCCMNQESA-N 403.320 4.669 10 1 HJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(C(C)=O)c4)c1C)[C@@H](C2)C3=O 587430334 GUGFKWAAGMFPCC-SQJMNOBHSA-N 401.462 4.794 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2Br)N1 587675453 BPMHAJBFVDFPGR-VPTHRUTESA-N 415.100 4.680 10 1 HJCF COC(=O)c1c(OC)c(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1C2 2356793461 HGFKFMVIVZUJFU-PBNMTAJQSA-N 402.531 4.949 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O 40892322 RWIHPRNPHNOFGB-LJQANCHMSA-N 419.506 4.655 10 1 HJCF Cc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587707905 YESHOAGIKSOTOW-DYZYQPBXSA-N 418.228 4.942 10 1 HJCF COc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1C(F)(F)F 1772599333 PDFHDLFGYGMJCP-LIRRHRJNSA-N 422.447 4.569 10 1 HJCF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(Br)cc23)cc1 103969375 PULCGYSWXNTYCI-QURGRASLSA-N 418.247 4.642 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2)N1 587767531 RMRQDTGVIZNOEZ-LHSJRXKWSA-N 403.339 4.986 10 1 HJCF Cc1ccnc2c1CCN[C@]2(Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 963070947 IEHBBMLKWYEXIE-JOCHJYFZSA-N 415.320 4.740 10 1 HJCF CCN(CC)c1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1 169685268 WEIMSMQVNZPPTA-BYCLXTJYSA-N 415.501 4.954 10 1 HJCF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587929811 LVEHEHBQMMOVQY-DWXRJYCRSA-N 408.457 4.792 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@@H]2c2ccccc2O)cc1 40901355 HUHNAEABSPYMME-HXUWFJFHSA-N 419.506 4.655 10 1 HJCF CC(C)N1CCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764612 GIZLOFZYKSPVSC-ZSEKCTLFSA-N 403.339 4.983 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2O)CCCC3)N1 587834961 UQZMBKLNHKEVJR-QKVFXAPYSA-N 404.323 4.970 10 1 HJCF COc1ccc(Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 64448025 JWSFWJOEOOBNCR-SANMLTNESA-N 423.516 4.845 10 1 HJCF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587929812 LVEHEHBQMMOVQY-HFJWLAOPSA-N 408.457 4.792 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Br)cc3)[nH]c21 45340235 YFGTZSZLHQMMGA-UHFFFAOYSA-N 403.235 4.768 10 1 HJCF in-vivo Cc1cc2c(c3oc(=O)c(C(C)(C)C)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473082498 IUJLTPZXFAGDMC-UHFFFAOYSA-N 404.462 4.962 10 1 HJCF CCC[C@@H]1N=C(c2cccc(OC)c2)C[C@H](c2cc(Br)ccc2O)N1 4729677 QPNZKSPDYFWPRT-UYAOXDASSA-N 403.320 4.813 10 1 HJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 27206469 MGQUNXUSVDXEQA-UHFFFAOYSA-N 406.511 4.935 10 1 HJCF CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC 95554498 KNIBLRKPMOYNHI-YVLHZVERSA-N 404.388 4.919 10 1 HJCF Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2=O)cc1 169330018 JBHMARNHYOVYDG-WCWDXBQESA-N 402.410 4.755 10 1 HJCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586948942 VPWCHRPUDACOKB-UHFFFAOYSA-N 403.463 4.613 10 1 HJCF CCOc1ccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587429386 CARDPAJGWVRWCL-BWKNWUBXSA-N 403.478 4.990 10 1 HJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692225 JXRUPVTTWVHQOR-RBHXEPJQSA-N 400.675 4.579 10 1 HJCF O=C1c2ccccc2-c2c1c1cc(C(F)(F)F)ccc1c(=O)n2CCCn1ccnc1 473172392 WJLRFKPXZMBUEU-UHFFFAOYSA-N 423.394 4.519 10 1 HJCF CCOC(=O)CCC[C@@]1(c2ccc(N(C)C)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963092063 AEZGSUKJEFTDDC-BKMJKUGQSA-N 424.560 4.889 10 1 HJCF O=c1cc(-c2cc(O)c(O)cc2Cc2ccccc2Cl)oc2cc(O)cc(O)c12 653833433 PSOVZTKHPIBPDR-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12 5138909 QHUHRTJZBYYRTM-UHFFFAOYSA-N 406.511 4.853 10 1 HJCF CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1 13123649 BJLRAIIIXARDPC-QGZVFWFLSA-N 417.847 4.713 10 1 HJCF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@H](C)CC)cc3)C2)cc1 1772582086 MWBXSYQNWUKSPG-KHCICDEESA-N 410.558 4.761 10 1 HJCF Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2snnc2C)cc1 299835403 DVINTLHNYKKKNC-QGZVFWFLSA-N 412.902 4.505 10 1 HJCF CCc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])cc1 96174916 WXUBELMQXKIUPU-YBEGLDIGSA-N 402.522 4.797 10 1 HJCF CC(C)C(=O)N1c2ccccc2N=C2CCCC(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1 18100885 CLUMUUJYJTTYQG-BJKOFHAPSA-N 403.526 4.938 10 1 HJCF COc1cccc(C/N=N/c2cc(-n3nc(C)cc3-c3ccccc3)ncn2)c1O 169690137 FPFLBRPNKRMIRY-OCEACIFDSA-N 400.442 4.636 10 1 HJCF CCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 40918446 DXYIALDWAIZLFY-UHFFFAOYSA-N 401.503 4.574 10 1 HJCF O=C(CSc1nc2cc(OCc3ccccc3)ccc2[nH]1)c1ccc(O)c(O)c1 13782382 HPJIMAGKNYFRSG-UHFFFAOYSA-N 406.463 4.528 10 1 HJCF CCCN(CCCNc1ccnc2cc(C)ccc12)Cc1cccc([N+](=O)[O-])c1O 49116397 ACDJUMHCGKMTFV-UHFFFAOYSA-N 408.502 4.871 10 1 HJCF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2O)N1Cc1ccccc1 73242996 KAHZOTCOQHMRTH-RCZVLFRGSA-N 412.489 4.563 10 1 HJCF O=C1c2ccccc2C(=O)c2c1cc(SCCc1ccccc1)c1nsnc21 222932838 YNPZONXKNSQWIJ-UHFFFAOYSA-N 402.500 4.802 10 1 HJCF COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(Cc2ccccc2)CC4)cc1O 39063917 ITXWZNATGXDCEV-UHFFFAOYSA-N 415.489 4.980 10 1 HJCF in-vivo C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2)N1 587767545 RNZQPSRKWRJLMB-SPLOXXLWSA-N 403.339 4.986 10 1 HJCF CC(=O)N[C@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccc(C)cc1 587217454 WPMBCJIBPHEMIQ-JOCHJYFZSA-N 400.482 4.666 10 1 HJCF CCN1c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@H]1C 587757692 BEUSWLBHEOPQLT-ZNLKAECVSA-N 403.339 4.983 10 1 HJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 2936825 CFJUHATZZKCPLD-MBSDFSHPSA-N 424.859 4.887 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4ccno4)cc3)C2)cc1 96173002 SYNIPZWEVUJUHE-QGZVFWFLSA-N 406.482 4.717 10 1 HJCF CC(=O)C[C@@]1(c2cc(Br)ccc2O)c2ccc(F)cc2C[C@@H]2CCCN21 963095996 FEBXMUXQWUSBBP-UWJYYQICSA-N 418.306 4.537 10 1 HJCF COc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cccc(OC)c3O)C2)cc1 59503792 YVNJNXZZQKGPKQ-BWKNWUBXSA-N 418.493 4.641 10 1 HJCF CCN1CCCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766966 PKCOLJUGDALFQE-ZSEKCTLFSA-N 403.339 4.984 10 1 HJCF O=C1c2ccccc2C(=O)c2cc3oc(SCc4ccccc4[N+](=O)[O-])nc3cc21 299826879 OHFVGKQPAIYQHN-UHFFFAOYSA-N 416.414 4.804 10 1 HJCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccccc2)n[nH]1 18207625 RZKBYZWRNFBQGK-WCWDXBQESA-N 410.231 4.950 10 1 HJCF CCCN(CC1CC1)c1ncc(-c2ccccc2CNCc2ccccc2O)cn1 45186608 IXBUYSRFAPRYSQ-UHFFFAOYSA-N 402.542 4.765 10 1 HJCF COCCOc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1[N+](=O)[O-] 587265185 MDHRSXFVCLGMBB-UHFFFAOYSA-N 420.425 4.538 10 1 HJCF CC(C)N1CCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764610 GIZLOFZYKSPVSC-LRTDBIEQSA-N 403.339 4.983 10 1 HJCF CC(C)Oc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772607756 HPJQCVXDXGPTJV-QHCPKHFHSA-N 401.466 4.566 10 1 HJCF CC(C)=CCOc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 64513865 QEKONSPZAWJORM-LJQANCHMSA-N 415.946 4.785 10 1 HJCF O=c1c(/N=N/c2ccc(O)cc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1 169325749 BUEDXYIDAXQIJX-GHVJWSGMSA-N 401.382 4.862 10 1 HJCF COCCNc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1[N+](=O)[O-] 587264583 GMAWXGWZTMHPMF-UHFFFAOYSA-N 419.441 4.571 10 1 HJCF CC[C@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n1 587079756 NASRENQZKXIFFN-NSHDSACASA-N 404.857 4.826 10 1 HJCF COc1ccc(N2CCN(CCCSc3nc4ccc(Cl)cc4[nH]3)CC2)cc1 1911573231 IZBULIWWJWKKOU-UHFFFAOYSA-N 416.978 4.529 10 1 HJCF O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccccc3C(F)(F)F)C2=O)cc1 40896902 ZSZFASHAQNAWHC-ZROIWOOFSA-N 409.410 4.809 10 1 HJCF O=C1[C@@H](/N=N/c2ccc(-c3nc4ccccc4o3)cc2)NC(=S)N1c1ccccc1 73390201 RODJQCVRNFGTPL-JOOHTTSLSA-N 413.462 4.826 10 1 HJCF COc1ccc(N2CCN(C(=O)N3c4ccccc4Oc4ccccc43)CC2)cc1 1772638356 PVZZCJIXDQEMJU-UHFFFAOYSA-N 401.466 4.881 10 1 HJCF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587800177 VSRGWIBZIMVDPB-BIBXISHDSA-N 408.311 4.799 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(Cl)cc2O)N1 587722379 YOCCDFCXXDYDRW-QPFGOUBPSA-N 402.666 4.884 10 1 HJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)c(N)cc23)cc1 26847980 YLZGCHIMBKIMJF-UHFFFAOYSA-N 412.902 4.739 10 1 HJCF CC1(C)O[C@@H]2[C@H](CN=[N+]=[N-])O[C@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 40519954 VFLFJSMFKWWSAY-LOWDOPEQSA-N 418.668 4.724 10 1 HJCF NS(=O)(=O)c1ccc(/N=N/Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 169694030 YYLLFZPZYCXTCN-GHVJWSGMSA-N 423.523 4.532 10 1 HJCF CC(C)(C)c1cc(O)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611252 RSFFNEGELGDZIJ-WMZHIEFXSA-N 406.434 4.804 10 1 HJCF COc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)cc1 72174723 VSUUEKWKDDDHRP-OAQYLSRUSA-N 403.507 4.949 10 1 HJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C(C)(C)OC)cc3)C2)cc1 96173007 RRGPCHKZVHWJTI-GOSISDBHSA-N 411.542 4.841 10 1 HJCF CN(C)CCOc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078188 KFXZAEOHMBQOAV-JKSBSHDWSA-N 408.933 4.983 10 1 HJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587518368 GUDWUJWOQUKDHM-FXABVQRQSA-N 403.522 4.967 10 1 HJCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739959 IVSPRHZBQIMHMH-ODXCJYRJSA-N 407.327 4.764 10 1 HJCF COc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc(OC)c1O 20036111 JIJUNVBLNUUGJC-OAQYLSRUSA-N 417.465 4.568 10 3 HJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(C(F)(F)F)cc1 73291777 PMEWLJSVQYUANV-UHFFFAOYSA-N 416.399 4.588 10 1 HJCF COC(=O)c1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cn1 587196742 YFMCZGQHIKRWSV-UHFFFAOYSA-N 400.442 4.893 10 1 HJCF CSc1cccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)c2C)c1 963491430 NQJAWUZHTWFYBC-JTHBVZDNSA-N 422.550 4.518 10 1 HJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(C)(F)F)cc3)C2)cc1 1772613787 VASNHYNRRXKRMC-AOMKIAJQSA-N 418.484 4.575 10 1 HJCF Oc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1 96198909 LMFUUXPZICCZRG-WMZHIEFXSA-N 406.869 4.997 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587697026 VQOYVJAUUKLYOS-DXRPGJJCSA-N 421.093 4.930 10 1 HJCF CCN1c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@@H]1C 587763427 ZABGQRAKHSWPKE-BYVOGVQKSA-N 403.339 4.983 10 1 HJCF COC(=O)c1c(OC)c(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]1C2 2356793462 HGFKFMVIVZUJFU-QIUMVMEPSA-N 402.531 4.949 10 1 HJCF COc1ccc(C2=NN[C@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1 28824773 DPMMJDFRISXTPA-XMMPIXPASA-N 415.518 4.841 10 1 HJCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5)cc34)[C@@H]21 95555160 GCOLKMPLZQEIFU-RUZDIDTESA-N 409.489 4.894 10 1 HJCF COc1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@@](O)(C(F)(F)F)C2)cc1 28568390 VSCIJHMMNMXEBH-IBGZPJMESA-N 421.806 4.762 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041376 NCQHWRVXBAXHFW-FCHUYYIVSA-N 402.523 4.884 10 1 HJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2)cc1 587195347 HOQNJHWYWOELDS-UHFFFAOYSA-N 421.482 4.958 10 1 HJCF COc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)N(C)c3ccccc32)c1 40423942 QVNTYBXBKSPMRZ-DTQAZKPQSA-N 417.490 4.597 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2)N1 587767533 RMRQDTGVIZNOEZ-SPLOXXLWSA-N 403.339 4.986 10 1 HJCF Cc1ccc(C)n1-c1cc(C(=O)N2CCC[C@@H](c3ccccc3O)C2)ccc1C(=O)O 219920521 GAPILSQCAVPWHD-LJQANCHMSA-N 418.493 4.518 10 1 HJCF CCN1CCCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764252 CPHBUTWJIDUUTL-YEJXKQKISA-N 403.339 4.984 10 1 HJCF Cc1cnc(SC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853155 KZMPYYZGKKUESA-JDNHERCYSA-N 401.370 4.895 10 1 HJCF COc1ccc(C(=O)N[C@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)cc1 2921429 RVZSTPJGDWAULM-IBGZPJMESA-N 408.841 4.715 10 1 HJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@H]1CN2c1ccc(OC)cc1 587485762 KEYQRNFEJHHVTM-UVNWJPITSA-N 407.510 4.746 10 1 HJCF CC(C)c1nn(C)c2c1[C@@]1(C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)NCC2 962914304 SJKRFVHBDIJAAQ-BYXVTNLJSA-N 423.601 4.832 10 1 HJCF C[C@@]1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173529 CWLUMVDZCROKGV-QHCPKHFHSA-N 403.413 4.705 10 1 HJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(C(C)=O)c4)c1C)[C@@H](C2)C3=O 587430333 GUGFKWAAGMFPCC-OFVILXPXSA-N 401.462 4.794 10 1 HJCF Cc1cc(OC2CC2)ccc1N1CC[C@H](Oc2ccc([C@H](C)NC(=O)N(C)C)cc2)C1 1772653263 QDQOTBCNDUKBQA-MBSDFSHPSA-N 423.557 4.526 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)F)c2O)N1 587723191 VKWYLUTWACCKMD-VXJOIVPMSA-N 420.200 4.816 10 1 HJCF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2 587826318 AFSYVDCMKDDUMM-GTJPDFRWSA-N 404.323 4.889 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)O2 587391807 ZFIDPTISIGJEAI-JOCHJYFZSA-N 404.466 4.698 10 1 HJCF CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1 13123648 BJLRAIIIXARDPC-KRWDZBQOSA-N 417.847 4.713 10 1 HJCF CCOc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587772302 ZRPCXMJTXMAZMD-LHSJRXKWSA-N 419.338 4.627 10 1 HJCF CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772620300 DCOHSMULNHTTBG-MBSDFSHPSA-N 411.546 4.512 10 1 HJCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc2cnccc2c(Br)n1 587942440 YLKRAOFFLVGGNZ-UHFFFAOYSA-N 422.282 4.867 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2O)(C(F)(F)F)N1 587701923 DBSPFPBXXUSRPW-FVMDXXJSSA-N 404.201 4.634 10 1 HJCF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H](c1ccc(O)c(O)c1)CO2 5854381 MUISDLZQMBDTJL-GOSISDBHSA-N 424.493 4.885 10 1 HJCF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)O2 587390964 TUHMNGDDCSFMAD-JOCHJYFZSA-N 404.466 4.698 10 1 HJCF O=C(NCCc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccc(O)c(O)c1 40423106 PBJGPRDATGLBFV-UHFFFAOYSA-N 423.512 4.791 10 1 HJCF Clc1ccc(-c2cc3c(o2)-c2nccn2-c2ccc(N4CCNCC4)cc2C3)cc1 82158227 MEYZYVFRRYUEJP-UHFFFAOYSA-N 416.912 4.767 10 1 HJCF CSc1cccc(-n2c(C)cc(-c3csc(CCN4CCOC4=O)n3)c2C)c1 587924459 ZJXVSJGGEOVOQO-UHFFFAOYSA-N 413.568 4.934 10 1 HJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 963189879 XJHCEQGDHUSVFP-VQIMIIECSA-N 424.850 4.647 10 1 HJCF O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)c(O)cc3ccccc23)c2ccccc12 13864564 MJYPVDIDQNLOSV-QURGRASLSA-N 410.407 4.772 10 1 HJCF CCN1CCCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587766965 PKCOLJUGDALFQE-YEJXKQKISA-N 403.339 4.984 10 1 HJCF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CCC4)cc3)C2)cc1 1772581189 NOAYIYJCVLASHB-KBMIEXCESA-N 422.569 4.763 10 1 HJCF COc1ccc(N2CCN(CC3=NO[C@@H]4CCCC[C@@H]4[C@H]3c3ccccc3)CC2)cc1 473081088 ABNWMVURYILCJQ-SKBVVQJISA-N 419.569 4.546 10 1 HJCF CC1(C)O[C@@H]2[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)O[C@@H](CN=[N+]=[N-])[C@H]2O1 253712410 VFLFJSMFKWWSAY-RNJOBUHISA-N 418.668 4.724 10 1 HJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCC(C)(C)CO4)C2)cc1 96172852 XUWDYZJBIFPCGE-QGZVFWFLSA-N 409.526 4.834 10 1 HJCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)n1 218480195 NEKGXIIMUAXULQ-FXAWDEMLSA-N 409.534 4.621 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1 587830289 DMRUBBUMKGPPJN-BIBXISHDSA-N 406.295 4.633 10 1 HJCF C[C@@H](CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)c1ccccc1 13735444 WSXSZSYTJWAVLI-INIZCTEOSA-N 407.466 4.766 10 1 HJCF CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 95589721 TUMVRWAIIYSROD-UHFFFAOYSA-N 424.566 4.937 10 1 HJCF O=C1c2ccccc2-c2cc([C@H]3C(=O)c4cccc([N+](=O)[O-])c4C3=O)nc3cccc1c23 587105357 ZKAYIOQOAGWDQF-QFIPXVFZSA-N 420.380 4.517 10 1 HJCF CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587275396 DAZUMDJORNBMTJ-WHSLLNHNSA-N 418.453 4.783 10 1 HJCF COc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1C(=S)Nc1ccccc1 29045520 YJYMBEITSQJHQW-FQEVSTJZSA-N 403.507 4.949 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO 95869220 RALVQQBRBHDDHS-NQHRYMMQSA-N 408.586 4.925 10 1 HJCF Cc1cc(C/N=N/c2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 169690462 FJLJGGBJUQKAMF-SHHOIMCASA-N 419.367 4.677 10 1 HJCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1 26942263 MJODUKJPUXPVAU-UHFFFAOYSA-N 422.466 4.720 10 1 HJCF COc1ccc(Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 64448024 JWSFWJOEOOBNCR-AREMUKBSSA-N 423.516 4.845 10 1 HJCF CC(C)CCn1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 254047449 ZHXRTLIKXPHLFS-UHFFFAOYSA-N 407.396 4.919 10 1 HJCF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@H](C)CC)cc3)C2)cc1 1772582088 MWBXSYQNWUKSPG-YDIMBITNSA-N 410.558 4.761 10 1 HJCF CC(=O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 3799481 VURRKZPOVAVHHL-UHFFFAOYSA-N 413.477 4.932 10 1 HJCF O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1cccs1 587944449 GNQUZMLHLQVLCV-SFHVURJKSA-N 406.410 4.856 10 1 HJCF Oc1ccc2oc([C@@H](O)c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 103262315 HXQVRDPKXVZSOR-SANMLTNESA-N 420.553 4.670 10 1 HJCF C[C@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351704 JIAFANBVXFQJBV-LADGPHEKSA-N 408.425 4.693 10 1 HJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)cccc21 587471634 USUHPPQDYCKZPG-AREMUKBSSA-N 413.473 4.840 10 1 HJCF C[C@H](CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)c1ccccc1 13735447 WSXSZSYTJWAVLI-MRXNPFEDSA-N 407.466 4.766 10 1 HJCF Cc1sc2c(c1C)CCN[C@]2(Cc1ccc(Cl)cc1)c1c(O)cc(O)cc1O 963022801 KRCQLVKQJMYILC-JOCHJYFZSA-N 415.942 4.767 10 1 HJCF COc1ccc(C=O)c2cc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)oc12 586903796 NNXSSDMUCZEILZ-UHFFFAOYSA-N 422.396 4.573 10 1 HJCF O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960078 QZYSKKGOSGQYFR-UHFFFAOYSA-N 408.639 4.979 10 1 HJCF COc1cccc2[nH]c3c(c12)CCN1C(=O)c2c(ccc4c2C=CC(C)(C)O4)N(C)[C@H]31 2356846678 OPMANNGLHVBJLH-QHCPKHFHSA-N 415.493 4.508 10 1 HJCF CCN1c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C 587757689 BEUSWLBHEOPQLT-BYVOGVQKSA-N 403.339 4.983 10 1 HJCF COC(=O)c1c(OC)c(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]1C2 2356793463 HGFKFMVIVZUJFU-UPMOLNEASA-N 402.531 4.949 10 1 HJCF CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82181416 ZAMRINYTVMAWDY-KRWDZBQOSA-N 404.562 4.962 10 1 HJCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857752565 BYVNLFVVHPQJKJ-NSCUHMNNSA-N 401.485 4.727 10 1 HJCF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC1CCN(Cc2ccccc2)CC1 45357314 NMBSNPBOQNFTFP-UHFFFAOYSA-N 416.521 4.542 10 1 HJCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)O2 587389930 NXWACURINMIDNC-DEOSSOPVSA-N 404.466 4.564 10 1 HJCF O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)ccc3cc(O)ccc23)c2ccccc12 13864568 BZEKJDSAPODXAQ-QURGRASLSA-N 410.407 4.772 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2O)CCCC3)N1 587834959 UQZMBKLNHKEVJR-LAJNKCICSA-N 404.323 4.970 10 1 HJCF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772623409 VNFLMNVKFYVKEE-SBUREZEXSA-N 410.514 4.550 10 1 HJCF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587800181 VSRGWIBZIMVDPB-YBTHPKLGSA-N 408.311 4.799 10 1 HJCF CN1OC[C@@H]2CN(C(=O)Nc3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 95599546 UGDNFVIKJSZTJW-OYDLWJJNSA-N 420.557 4.518 10 3 HJCF CCCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OC 26378910 UGYAAQGCLTXEKY-UHFFFAOYSA-N 414.454 4.848 10 1 HJCF CC(C)n1c(O)c(N=NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 253961089 XEUIYPGGPGTDFA-UHFFFAOYSA-N 412.877 4.550 10 1 HJCF O=C(Nc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1)c1ccccc1 26745454 OMQKGERPLBWQDT-UHFFFAOYSA-N 407.558 4.616 10 1 HJCF CC(C)n1c(O)c(/N=N/C(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 5823100 XEUIYPGGPGTDFA-OCOZRVBESA-N 412.877 4.550 10 1 HJCF Cc1cccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3ccncc3)c3ccccc32)c1 102306240 NXDGQAHVKZCPEX-RQZHXJHFSA-N 413.437 4.613 10 1 HJCF CCN1c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2C[C@H]1C 587763429 ZABGQRAKHSWPKE-ZNLKAECVSA-N 403.339 4.983 10 1 HJCF CCOC(=O)CCC[C@]1(c2ccc(N(C)C)cc2)c2c(F)cccc2C[C@H]2CCCN21 963092069 AEZGSUKJEFTDDC-GJZUVCINSA-N 424.560 4.889 10 1 HJCF CN(CCc1ccccc1)c1ncc(-c2ccccc2CNCc2ccccc2O)cn1 45230545 TYWKLMGJKFJAOJ-UHFFFAOYSA-N 424.548 4.818 10 1 HJCF C/C1=C/C[C@]2(C)C(=O)C(=O)[C@H]([C@H](C)CO)[C@H]2C/C=C(/C)[C@@H](O)CC/C(C)=C\CC1 100267709 XBSTUYCTUIAGDT-ZNTIRAHOSA-N 402.575 4.559 10 1 HJCF COc1cc2c3c(c1)O[C@](C)(c1cccc(-n4c(C)cc(C=O)c4C)c1)[C@@H](C2)C3=O 587429276 ARGKRMUFHKNQOB-SQJMNOBHSA-N 401.462 4.578 10 1 HJCF CC(C)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587821034 GLIXFSCQTWJQLW-PRWKNARSSA-N 408.311 4.921 10 1 HJCF CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(N)ccc2N(Cc2ccc(N)cc2)C1=O 66075916 QITJFNVREGBSND-QHCPKHFHSA-N 404.558 4.792 10 1 HJCF CCOC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587391667 WYNPDSMTLAGPJG-HSZRJFAPSA-N 418.493 4.868 10 1 HJCF Cc1cc2c(cc1F)[C@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1O)NCC2 962297092 IADBYEAGVNFPPU-DEOSSOPVSA-N 422.456 4.736 10 1 HJCF CC(=O)c1nnc([C@]23CCCC(C)(C)[C@@H]2CC(=O)c2cc(C(C)C)c(O)c(O)c23)o1 1857579447 KQJIPTXLVZOAED-QMHKHESXSA-N 412.486 4.506 10 1 HJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1 26938672 CFHWTJXSSCOHFI-UHFFFAOYSA-N 407.495 4.820 10 1 HJCF CCN(CCC/C=C1/OC(=O)c2cc(OC)c(OC)cc21)Cc1ccc(N(C)C)cc1 1911579955 OYSKGJFODBSKDY-LSFURLLWSA-N 424.541 4.583 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746023 LAHFVYCGTFCBJO-APBUJDDRSA-N 423.282 4.562 10 1 HJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Cl)c2)N1 2936776 OMFZVGUPSCXDJB-CVDCTZTESA-N 406.869 4.748 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OC)cccc12 29473302 DZPQWQRZXPBGMZ-UHFFFAOYSA-N 422.510 4.553 10 1 HJCF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC(=O)O)cc4)ccc32)cc1 95584449 HOUHYGUDGKZZGD-UHFFFAOYSA-N 401.466 4.663 10 1 HJCF CCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587786017 RDXNDARVYVLJGN-SNAWJCMRSA-N 419.275 4.704 10 1 HJCF O=c1nc(CSC(=S)NCc2ccc(Cl)cc2Cl)[nH]c2ccccc12 209479694 IHARHLLYJJWNAE-UHFFFAOYSA-N 410.351 4.538 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(Cl)cc2O)N1 587722619 YXUXAVKHPNJNMI-QPFGOUBPSA-N 402.666 4.884 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587691284 DRXRVKWXFWBJRF-MDAAJZPYSA-N 421.093 4.930 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1 587764884 HCZLJGXKSMSIOQ-YEJXKQKISA-N 419.338 4.692 10 1 HJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(OC)cc3nc2c1 26841335 AQFVAWBOIBLESX-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF COc1cc2c(cc1C)N(C)C(=O)/C2=C/c1c(Cl)n(C)c2cc(C)c(OC)cc12 58604063 AAMRHCMANTXGKR-RQZCQDPDSA-N 410.901 4.983 10 1 HJCF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587151161 QNDPGWYYZHEXPI-LLVKDONJSA-N 404.372 4.757 10 1 HJCF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl 587691960 IZGCBCSXZYFSBZ-VPTHRUTESA-N 400.675 4.579 10 1 HJCF Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1Cl 49037304 NAAZADBOPNSXFU-UHFFFAOYSA-N 418.862 4.674 10 1 HJCF CN1CCc2c(Br)cccc2[C@H]1c1cc(F)c(Br)cc1O 963290962 ZEBRPOGKEFPMTC-INIZCTEOSA-N 415.100 4.634 10 1 HJCF COc1c2c(c3c(=O)c4ccc(O)c(O)c4oc3c1CC=C(C)C)O[C@@H](C)C2(C)C 2356337130 WJLIWRPTTBXGIV-LBPRGKRZSA-N 410.466 4.933 10 1 HJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1OC 587276560 LXYMBUXWXDDFCW-HKZYLEAXSA-N 406.442 4.623 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2O)CCCC3)N1 587835416 WAKBCWZSAPSVEP-XUSGNXJCSA-N 404.323 4.970 10 1 HJCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c(N)cccc2Br)s1 587937710 WQZXEXHTFOPSRJ-UHFFFAOYSA-N 405.317 4.876 10 1 HJCF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1O 13446429 OQERSWUZCFYYAC-LJQANCHMSA-N 407.341 4.537 10 1 HJCF CC(C)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587821025 GKMSTJBJWLFDPT-PRWKNARSSA-N 408.311 4.921 10 1 HJCF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587040113 ZYTNZIZPUJGDFD-UHFFFAOYSA-N 424.486 4.803 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587691286 DRXRVKWXFWBJRF-RCNPXXIZSA-N 421.093 4.930 10 1 HJCF CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 95592932 DOWDHAPVKJQUKV-UHFFFAOYSA-N 412.555 4.825 10 1 HJCF COc1cccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)c1 4729695 COPZXFKZIQVGME-ICSRJNTNSA-N 403.320 4.669 10 1 HJCF O=C(c1ccccc1)c1ccccc1Nc1nc(NC2CCCC2)ncc1[N+](=O)[O-] 64516653 JQWRACMLANFSCY-UHFFFAOYSA-N 403.442 4.714 10 1 HJCF Nc1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)cc1 586913453 OSMSKDIYMCZCRD-UHFFFAOYSA-N 401.466 4.740 10 1 HJCF CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1 18059119 FRGCOOWEOHINOH-IZHYLOQSSA-N 408.502 4.727 10 1 HJCF CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1 33506014 WCUXAQAVBINHFZ-QZQOTICOSA-N 400.395 4.723 10 1 HJCF CC(C)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587821030 GLIXFSCQTWJQLW-BIBXISHDSA-N 408.311 4.921 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1 587830290 DMRUBBUMKGPPJN-GIPWTMENSA-N 406.295 4.633 10 1 HJCF COc1ccc(-c2cn(-c3ccc(OC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857746342 DUYXCOHJMOIICJ-UHFFFAOYSA-N 409.441 4.937 10 1 HJCF COc1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1 29469543 MVYGERBUULXADH-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C 587575895 GUTZLTRJWRYWBW-RCZVLFRGSA-N 415.445 4.904 10 1 HJCF Cc1ccc(-c2csc(-n3nc(C)c(N=Nc4ccc(C(N)=O)cc4)c3O)n2)cc1 617978365 DIYDVKWAMZOLKT-UHFFFAOYSA-N 418.482 4.833 10 1 HJCF CC1(C)CCC[C@@H]2COc3cc(O)c4c(=O)c(-c5ccc(O)c(O)c5)coc4c3C[C@H]21 14825081 BMFRBRVHLZOMCJ-RHSMWYFYSA-N 422.477 4.954 10 1 HJCF biogenic Oc1c(CN2CCCC2)cc(Nc2nccc3ccccc23)cc1CN1CCCC1 1485857 QREINNCOCZXXFR-UHFFFAOYSA-N 402.542 4.876 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2O)N1 587721373 PPVDEWWAKCTODL-BCTVWOGZSA-N 420.200 4.816 10 1 HJCF Cc1sc2c(c1C)CCN[C@@]2(Cc1ccc(Cl)cc1)c1c(O)cc(O)cc1O 963022812 KRCQLVKQJMYILC-QFIPXVFZSA-N 415.942 4.767 10 1 HJCF Nc1nc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cs1 587021453 LSGVEKJFVXSQNK-UHFFFAOYSA-N 422.469 4.711 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21 587153277 XSDLKTVQMOIAAT-CVEARBPZSA-N 400.384 4.888 10 1 HJCF COc1cccc([C@@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O 5499093 AUMDYKOUHUXDRR-IBGZPJMESA-N 412.445 4.826 10 1 HJCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739957 IVSPRHZBQIMHMH-FKIZINRSSA-N 407.327 4.764 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(F)cc2nc2c(C)cccc12 29479472 FEFAUBXMPADJBO-UHFFFAOYSA-N 424.501 4.992 10 1 HJCF Cc1cccc(C)c1OCC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 253961042 LMQLBFGGBUCAPF-UHFFFAOYSA-N 402.248 4.942 10 1 HJCF CN(C)c1ccc(/C=C2\CCCC3=C2NC(=O)N[C@H]3c2ccc(N(C)C)cc2)cc1 299855422 FAZVOKXWBQUNRN-BBIZSYTBSA-N 402.542 4.694 10 1 HJCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CF)cc3)C2)c(OC)c1 96172973 AZTROSFQLPEDMX-QGZVFWFLSA-N 415.505 4.784 10 1 HJCF Cc1cc(/N=N/[C@H](C)c2cn(C)n(-c3ccccc3)c2=O)c2cc3c(cc2n1)OCO3 169693547 DNJMSHIALNINAX-HNSMJWMHSA-N 415.453 4.606 10 1 HJCF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1ccc(O)c(O)c1 587858398 HUURNYQFVKIVRW-UHFFFAOYSA-N 421.280 4.940 10 1 HJCF O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151541 ZTCFLIAQZSENEG-ZKTNFTSUSA-N 414.255 4.703 10 1 HJCF COc1cc(OC)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587275410 DFEHOZSRXMTLBM-STXHMFSFSA-N 406.442 4.623 10 1 HJCF C[C@@H](NC[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1)c1ccccc1 40863288 RRMUHRIOLPPZTC-BWKNWUBXSA-N 416.565 4.730 10 1 HJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(NC(C)=O)cc1 84633418 ROYUEXSEGJMCDI-UHFFFAOYSA-N 406.482 4.607 10 1 HJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696949 VFLBCXZVYDRSHW-CQLKUDPESA-N 400.675 4.579 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c21 587153278 XSDLKTVQMOIAAT-HOTGVXAUSA-N 400.384 4.888 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1 587175480 SOSDDMWEPASCEV-IBGZPJMESA-N 401.445 4.800 10 1 HJCF COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@H]2N3C)c1 169294440 AOOZEYBUUVKXRR-DEOSSOPVSA-N 415.493 4.813 10 1 HJCF COc1c2c(c3c(=O)c4cc(O)c(O)cc4oc3c1CC=C(C)C)O[C@@H](C)C2(C)C 299821995 CVIHMVHCWYWWPC-LBPRGKRZSA-N 410.466 4.933 10 1 HJCF Nc1ccc(Oc2ccc3nc(-c4nc(Cl)cnc4Br)[nH]c3c2)cc1 587005233 DITISZIKZXGXQI-UHFFFAOYSA-N 416.666 4.810 10 1 HJCF O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151540 ZTCFLIAQZSENEG-CRTZDJKQSA-N 414.255 4.703 10 1 HJCF Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2snnc2C)cc1 299835401 DVINTLHNYKKKNC-KRWDZBQOSA-N 412.902 4.505 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)c(Cl)cc(Cl)c2O)N1 587697028 VQOYVJAUUKLYOS-MDAAJZPYSA-N 421.093 4.930 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(F)ccc12 29466390 NEOSNCPSDGATEO-UHFFFAOYSA-N 410.474 4.684 10 1 HJCF CN(C)c1ccc(CNCC[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)cc1 73164025 OVRCVYWNUUCNIN-HSZRJFAPSA-N 402.538 4.988 10 1 HJCF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 209126814 VNFLMNVKFYVKEE-GAJHUEQPSA-N 410.514 4.550 10 1 HJCF COc1cc(OC)c(N2CCC3(CC2)NCCc2cc(Cl)ccc23)cc1Cl 963391481 UTEMNHQILIYRSA-UHFFFAOYSA-N 407.341 4.652 10 1 HJCF COC(=O)Cn1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587514027 DWBDHAXKVCFYTJ-JOCHJYFZSA-N 403.478 4.708 10 1 HJCF CC1=NN(C(=O)COc2ccc(Cl)cc2)[C@H](c2cc(Br)ccc2O)C1 653718493 JTFJQYIXOQDMLP-INIZCTEOSA-N 423.694 4.536 10 1 HJCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(=O)C(C)(C)CO4)CC2)cc1 653899278 JBHGNFAURIXWCR-UHFFFAOYSA-N 408.542 4.548 10 1 HJCF COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc([N+](=O)[O-])cc3)c2c1 5581263 LLXIGXZMMNBPFW-UHFFFAOYSA-N 405.370 4.652 10 3 HJCF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(Cl)c3ccccc3c2O)N1)C(F)(F)F 962728910 FZNRAUMUXZLJIV-ROUUACIJSA-N 405.803 4.934 10 1 HJCF Nc1c(/N=N/c2ccc(-c3ccccc3O)nc2)cc(S(=O)(=O)O)c2ccccc12 1772625441 PSJISMXRVYSWLY-OCOZRVBESA-N 420.450 4.852 10 1 HJCF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(Cl)c(I)c1O 963021581 JSMIAYLBPGZSDQ-CYBMUJFWSA-N 419.715 4.564 10 1 HJCF Cn1c(O)c(/N=N\C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 6566865 IYIVYJUXHCHGOK-IZHYLOQSSA-N 401.348 4.563 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)F)c2O)N1 587723190 VKWYLUTWACCKMD-GLEZIHRCSA-N 420.200 4.816 10 1 HJCF COc1ccc(N2CCN(CC[C@@H](O)c3ccc(-c4ccccc4)cc3)CC2)cc1 71295958 IOJINVCHPPMEPK-AREMUKBSSA-N 402.538 4.608 10 1 HJCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738559 BEXYXTORUIBUNY-MPBGBICISA-N 407.327 4.764 10 1 HJCF CC1(C)CCC[C@@H]2COc3cc(O)c4c(=O)c(-c5ccc(O)c(O)c5)coc4c3C[C@@H]21 14825077 BMFRBRVHLZOMCJ-PBHICJAKSA-N 422.477 4.954 10 1 HJCF biogenic CC(C)C[C@@H](C(=O)O)N1C(=O)C(=C(c2ccccc2)c2ccccc2)SC1=S 28714326 HXLIPKYDERBHRB-KRWDZBQOSA-N 411.548 4.806 10 1 HJCF CCOc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587772308 ZRPCXMJTXMAZMD-SZNDQCEHSA-N 419.338 4.627 10 1 HJCF CN(C)c1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)cc1 64552859 XFTDJGYTDWLRCW-QFIPXVFZSA-N 410.477 4.885 10 1 HJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587693647 NIHCUEPRCILWCV-RBHXEPJQSA-N 400.675 4.579 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2O)N1 587718268 HYTTZMLASDBAEV-PWJLMRLQSA-N 420.200 4.816 10 1 HJCF CC(C)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587793516 NJXOOIUDKCCHID-FKIZINRSSA-N 408.311 4.952 10 1 HJCF Cc1sc2c(c1C)CCN[C@@H]2c1cc(C)n(-c2ccc(O[C@@H](C)C(=O)O)cc2)c1C 963016105 XKUUKSLLOUHTGT-KSFYIVLOSA-N 424.566 4.859 10 1 HJCF Cc1cc(C)cc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c1 653796423 PDELTVQSAIHUIM-VMPITWQZSA-N 419.550 4.915 10 1 HJCF COc1ccccc1Cn1cc(-c2ccc(O)c(O)c2)c(-c2ccc(O)c(O)c2)c1 1772590748 UJQIQQCJNWDNFI-UHFFFAOYSA-N 403.434 4.701 10 1 HJCF Cc1ccccc1C(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64437194 XLLXLWJIACBLHP-RUZDIDTESA-N 421.500 4.785 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2O)N1 587709715 CFJXOWYVYZVGAF-ANRSDYALSA-N 404.201 4.936 10 1 HJCF O[C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1ccnc2cc(Cl)ccc12 28568366 OXGWWMGWNUGBGG-GOSISDBHSA-N 409.770 4.893 10 1 HJCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4cccnc4)c3)cc2)CC1 1857773435 YFSDSNCCBLHWSK-SNAWJCMRSA-N 401.485 4.727 10 1 HJCF Cc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@@H]2c2ccccc2O)cc1 40395097 ZLRBLRRXOUTHQM-HXUWFJFHSA-N 403.507 4.954 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccccc3C(F)(F)F)[nH]c21 587107472 KJIJWEAMJRBWDZ-UHFFFAOYSA-N 406.363 4.948 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2O)N1 587680726 PVTFHNGJRSAMQG-VPTHRUTESA-N 415.100 4.680 10 1 HJCF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)nn1-c1ccccc1F 587157097 VUWUCBMXXPHFKO-UHFFFAOYSA-N 415.428 4.938 10 1 HJCF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1c(O)ccc2cc(O)ccc12 962396370 GHDBYQOCOVSSDE-XMMPIXPASA-N 404.535 4.973 10 1 HJCF CC(C)c1nn(C)c2c1[C@@]1(C[C@@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(O)cc31)NCC2 962914311 SJKRFVHBDIJAAQ-QGDZQMKYSA-N 423.601 4.832 10 1 HJCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587696950 VFLBCXZVYDRSHW-QPFGOUBPSA-N 400.675 4.579 10 1 HJCF O=C(O)C1CCN(c2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)CC1 962662705 CHHMLBOFESICOC-SANMLTNESA-N 412.533 4.890 10 1 HJCF CCNc1ccc(/N=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 103172171 YQYVEUIPZBLUFA-IZHYLOQSSA-N 410.503 4.741 10 1 HJCF O=C(N=Nc1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 253988948 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COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587699415 SKISMCUEDQCILX-BCTVWOGZSA-N 400.675 4.579 10 1 HJCF COc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587785438 LXYLMGBKBDLSQR-PLNGDYQASA-N 419.275 4.703 10 1 HJCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3c(Cl)cccc3Cl)c12 72176602 UVPINGDOFIMGII-UHFFFAOYSA-N 419.216 4.949 10 1 HJCF C[N+](C)(C)CCCCCCOc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 27204739 FCZCIQAOZGGUKL-UHFFFAOYSA-O 412.506 4.517 10 1 HJCF COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388454 BWDHHSBZWJUTPY-QFIPXVFZSA-N 421.453 4.608 10 1 HJCF COc1cc2c3c(c1)O[C@@](CSc1ncc(C)s1)(c1cccs1)[C@@H](C2)C3=O 587452078 QHMQIOWMVFTCKJ-VBKZILBWSA-N 415.561 4.957 10 1 HJCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3C(F)(F)F)cc2n1CC(F)(F)F 205519242 XDSXIJYRSOHJHJ-UHFFFAOYSA-N 412.293 4.521 10 1 HJCF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2 587826320 AFSYVDCMKDDUMM-LAJNKCICSA-N 404.323 4.889 10 1 HJCF CCn1c(O)c(/N=N/C(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 101882235 LKAHDJSAFJXCCK-WCWDXBQESA-N 420.498 4.712 10 1 HJCF CC(C)N1CCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587769689 ZJPJVMQHICNYFV-LRTDBIEQSA-N 403.339 4.983 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2O)CCCC3)N1 587831557 IBGAGECWENLVEL-LAJNKCICSA-N 404.323 4.970 10 1 HJCF O=c1cc(-c2cc(O)c(O)c(Cc3ccccc3Cl)c2)oc2cc(O)cc(O)c12 653835477 VQFPJKGTGXGINM-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF CCc1ccc(OC[C@]2(c3ccc(O)cc3O)NCCc3ccc(F)c(C)c32)cc1 962372109 GZGZOWLVVSEVQV-RUZDIDTESA-N 407.485 4.576 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2O)N1 587715950 YYAUFRMBDLDGJX-ZKANADHPSA-N 404.201 4.936 10 1 HJCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2N)s1 587937653 UNVMMUTYHAVEAJ-UHFFFAOYSA-N 405.317 4.876 10 1 HJCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1Cl 40895349 MCBIFYMUYPHTEO-UXBLZVDNSA-N 402.064 4.762 10 1 HJCF COc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)c1 72170645 DTRZCZVFDBAVCO-OAQYLSRUSA-N 403.507 4.949 10 1 HJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C(=O)O)cc4C)c1C)[C@@H](C2)C3=O 587430659 KPUYYMFMIYCLBV-YADARESESA-N 417.461 4.598 10 1 HJCF C[C@@H]1Cc2cc(OC(=O)c3ccc(O)cc3)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@@H]1C 31169403 PLKYOINBEDTBHH-ICBMNTSNSA-N 420.461 4.688 10 1 HJCF biogenic CCCCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587193103 SGQKKMIIRYVNIU-UHFFFAOYSA-N 418.335 4.600 10 1 HJCF COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1c(C)cc(C)cc1-3 43073479 FNDBVCMIJGGNHF-UHFFFAOYSA-N 422.550 4.671 10 1 HJCF CCCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149636305 WDIONMHCRYMHIB-IBGZPJMESA-N 406.570 4.927 10 1 HJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C(=O)O)ccc4C)c1C)[C@@H](C2)C3=O 587431679 QHWPQSNGPIMYDK-CYFREDJKSA-N 417.461 4.598 10 1 HJCF Oc1ccc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)cc1O 653827939 SUZCGKPTXWUSSG-UHFFFAOYSA-N 414.530 4.835 10 1 HJCF COc1cc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1O 169693514 CFCFANZTNKKCHC-ZNTNEXAZSA-N 423.450 4.923 10 1 HJCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739958 IVSPRHZBQIMHMH-MPBGBICISA-N 407.327 4.764 10 1 HJCF COc1cc2c(cc1OC)[C@](C)(c1cc(OC)c3ccccc3c1O)N(C)[C@@H](C)C2 962639513 WHMNZUOPRQGCSO-ODCWNRFASA-N 407.510 4.711 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCC3)cc2O)N1 587766361 NFSMEEZMGZWVNU-ASSNKEHSSA-N 419.338 4.692 10 1 HJCF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587796474 KLLOTJPDZLGZDB-YBTHPKLGSA-N 408.311 4.799 10 1 HJCF CCC[C@@H]1N=C(c2ccc(OC)cc2)C[C@H](c2cc(Br)ccc2O)N1 4729354 ATZXGABVEIQUQJ-UYAOXDASSA-N 403.320 4.813 10 1 HJCF O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 2921399 SWLHCVDORDUQBL-QFIPXVFZSA-N 418.880 4.878 10 1 HJCF CC(C)n1c(O)c(/N=N\C(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21 102541892 XEUIYPGGPGTDFA-IZHYLOQSSA-N 412.877 4.550 10 1 HJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2c(N)cccc2Br)cc1 587937863 ZQVDNCWOLMDBCM-UHFFFAOYSA-N 415.287 4.515 10 1 HJCF O=C1C[C@](c2ccccc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587532380 LQRQMWYSKMIQFY-VWLOTQADSA-N 402.446 4.591 10 1 HJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(N3CCCC3)cc2)N1 963189872 XJHCEQGDHUSVFP-LPHOPBHVSA-N 424.850 4.647 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C)cc12 29469583 CFAJCUCOHAWNJJ-UHFFFAOYSA-N 406.511 4.853 10 1 HJCF COc1cc(O)c(O)c2c1C(=O)O[C@@H]2CCCCCCCCCC(=O)CC[C@@H](C)O 35086381 LWNNVKZBAGYIMH-CRAIPNDOSA-N 422.518 4.559 10 1 HJCF biogenic CC1(C)CCc2c(c3c(c4c2OC(=O)C[C@H]4c2ccc(O)c(O)c2)OC(C)(C)CC3)O1 14676647 XBSCKUGYKLNPGR-INIZCTEOSA-N 424.493 4.746 10 1 HJCF biogenic CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccccc5)cc34)[C@H]21 95555161 GCOLKMPLZQEIFU-VWLOTQADSA-N 409.489 4.894 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2O)N1 587721375 PPVDEWWAKCTODL-VPTHRUTESA-N 420.200 4.816 10 1 HJCF COc1cc(/C=C/c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc(OC)c1 1772634267 GORATMMPRPZKLW-ALUKSYHCSA-N 417.461 4.937 10 1 HJCF COC(=O)c1c(OC)c(O)c(O)c2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 2356793460 HGFKFMVIVZUJFU-JQPYIHFSSA-N 402.531 4.949 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3SCCc4sccc43)[nH]c21 587036478 CMDXJHQNFJYLKX-OAQYLSRUSA-N 402.500 4.779 10 1 HJCF Cc1ccc(NC(=S)N2N=C(c3ccccc3O)C[C@H]2c2ccccc2O)cc1 29045062 ZLRBLRRXOUTHQM-FQEVSTJZSA-N 403.507 4.954 10 1 HJCF O=C1CCN(Cc2ccccc2O)C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 72114697 CVKIVNDRRBPTDE-QFIPXVFZSA-N 407.460 4.894 10 1 HJCF COc1cc2c(cc1OC)[C@@](C)(c1cc(OC)c3ccccc3c1O)N(C)[C@H](C)C2 962639499 WHMNZUOPRQGCSO-BZQUYTCOSA-N 407.510 4.711 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 72175208 SZGVZXBLXZBTLX-HXUWFJFHSA-N 403.507 4.949 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C)cc12 5138901 BLINWSYJRUDTKJ-UHFFFAOYSA-N 407.495 4.820 10 1 HJCF Cc1nnn2c1-c1ccc(-c3ccc(=N)[nH]c3)cc1N(c1ccc(Cl)cc1)CC2 1857632769 PUTQASIWNBKTDJ-UHFFFAOYSA-N 402.889 4.533 10 1 HJCF CN1c2ccc(OCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 169341027 NKKITZOSLYEBJO-RUZDIDTESA-N 409.489 4.894 10 1 HJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)cccc21 587471637 USUHPPQDYCKZPG-SANMLTNESA-N 413.473 4.840 10 1 HJCF CCc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746026 LAHFVYCGTFCBJO-OVWNDWIMSA-N 423.282 4.562 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cccc(O)c32)N1 587829895 CVWBHLKEUVECNU-GIPWTMENSA-N 406.295 4.633 10 1 HJCF CN(C)c1ccc(CNCC2(c3ccnc(-c4cccc(N(C)C)c4)c3)CC2)cc1 1857588220 IECKVVXOTLLVCP-UHFFFAOYSA-N 400.570 4.702 10 1 HJCF O=C(Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1 17953268 BVZSPCSHPWPXPV-OCEACIFDSA-N 414.421 4.615 10 1 HJCF O=C(Nc1ccc(CC[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1)C1CCCCC1 1857643379 LBVDDZDBNLWJBU-UCCVUAKISA-N 413.539 4.579 10 1 HJCF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Cl 587691958 IZGCBCSXZYFSBZ-PWJLMRLQSA-N 400.675 4.579 10 1 HJCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692124 JXRUPVTTWVHQOR-CQLKUDPESA-N 400.675 4.579 10 1 HJCF CC[C@@]1(c2cc(F)ccc2O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962964273 ZSJLOODRZPPEOZ-NRFANRHFSA-N 409.423 4.855 10 1 HJCF O=C(COc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 103961358 RSPYIJZTIMYZHK-QZQOTICOSA-N 408.639 4.979 10 1 HJCF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587028789 XFFPDYZASRASQH-UHFFFAOYSA-N 410.458 4.765 10 1 HJCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587692228 JXRUPVTTWVHQOR-WNWIJWBNSA-N 400.675 4.579 10 1 HJCF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OCCCCc3ccccc3)c12 64454179 KJQHIKKEHGVZBA-UHFFFAOYSA-N 418.445 4.979 10 1 HJCF Cc1ccc(S(=O)(=O)Oc2cccc(C/N=N/c3ccc(C(=O)O)cc3)c2)cc1 169692010 RBISKORLATWHON-GHVJWSGMSA-N 410.451 4.745 10 1 HJCF C[C@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857560800 APENINWAKNLZAY-JTQLQIEISA-N 408.260 4.615 10 1 HJCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)c2ccncc2)cc1 38498381 YKRJSZRXUBAFON-UHFFFAOYSA-N 412.486 4.550 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)CCCC3)N1 587835977 YYZUPUARHGFERE-GTJPDFRWSA-N 404.323 4.970 10 1 HJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26844520 IAMABCFECWTWFX-UHFFFAOYSA-N 422.466 4.801 10 1 HJCF CCCCCOc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 95556672 ILPUQMCXWRWXRM-MOSHPQCFSA-N 422.481 4.769 10 1 HJCF C=C1NNC(=O)C(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)=C1C 587924199 LCHOHFMZIIWCSY-UHFFFAOYSA-N 422.579 4.861 10 1 HJCF CN(C)c1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)cc1 64552860 XFTDJGYTDWLRCW-JOCHJYFZSA-N 410.477 4.885 10 1 HJCF C/C1=C/C[C@]2(C)C(=O)C(=O)[C@@H]([C@H](C)CO)[C@H]2C/C=C(/C)[C@@H](O)CC/C(C)=C\CC1 100267705 XBSTUYCTUIAGDT-SVABCZSPSA-N 402.575 4.559 10 1 HJCF Oc1c([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc2c3c1CCCN3CCC2 963000745 WUERIKZNXOCUIL-DEOSSOPVSA-N 417.578 4.695 10 1 HJCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cccc2ccccc12 49112127 AOQQKTHZPHMBIX-UHFFFAOYSA-N 420.450 4.866 10 1 HJCF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)c(Cc4ccccc4Cl)c3)oc2c1 653830201 GGAPCWXFZXUVOK-UHFFFAOYSA-N 424.836 4.830 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2O)N1 587679323 MWIJMIOUQJPTGO-VPTHRUTESA-N 415.100 4.680 10 1 HJCF CCCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587824318 ZPLZMZKJJXIFNU-YBTHPKLGSA-N 408.311 4.750 10 1 HJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)c2ccc(F)cc2C[C@H]2CCCN21 963095988 FEBXMUXQWUSBBP-DYESRHJHSA-N 418.306 4.537 10 1 HJCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764242 CMCLHIPCIQKJKL-YEJXKQKISA-N 419.338 4.821 10 1 HJCF CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(F)cccc12 27722088 VDQJFYUAUMTIOU-UHFFFAOYSA-N 424.501 4.708 10 1 HJCF CCN(Cc1coc(-c2ccccc2Br)n1)c1ccc2c(c1)OCO2 72101408 GRVLQBZJHZQSJB-UHFFFAOYSA-N 401.260 4.859 10 1 HJCF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl 587698565 YQSUBCBZOBBVOS-PWJLMRLQSA-N 400.675 4.579 10 1 HJCF Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)c3ccsc3CCN2Cc2cccn2C)c1 962399481 QOACRRSDAPGDPQ-XMMPIXPASA-N 424.566 4.576 10 1 HJCF COc1cc(-c2coc3c(C(=O)NCc4ccc(N(C)C)cc4)cccc23)ccc1O 61907994 AZGNRXLGARRDKJ-UHFFFAOYSA-N 416.477 4.810 10 3 HJCF C[C@H]1CCCCN1Cc1c(O)ccc2c(O)c(-c3nc4ccccc4s3)c(=N)oc12 101624109 FJXFMZQRQJNTQF-ZDUSSCGKSA-N 421.522 4.975 10 1 HJCF COc1c2c(c(CC=C(C)C)c(O)c1C(=O)C(=O)c1ccc(O)cc1)OC(C)(C)C=C2 103276544 MYLFVEWNSHYTPO-UHFFFAOYSA-N 422.477 4.865 10 1 HJCF O[C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1ccnc2cc(Cl)ccc12 28568367 OXGWWMGWNUGBGG-SFHVURJKSA-N 409.770 4.893 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1 587829892 CVWBHLKEUVECNU-BIBXISHDSA-N 406.295 4.633 10 1 HJCF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccc(Cl)cc3)oc2c1 653829384 MCSGJPIMWJSBQS-UHFFFAOYSA-N 424.836 4.830 10 1 HJCF Cc1cc([C@@]2(C(F)(F)F)c3c(cnn3C)CCN2C)c(C)n1-c1ccc(Cl)cc1 963953881 DVMMSGZOUNZUEE-FQEVSTJZSA-N 422.882 4.775 10 1 HJCF CCOC(=O)CNc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587225673 RFFKNYSZJQYQDG-UHFFFAOYSA-N 402.454 4.579 10 1 HJCF Cc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587704248 ICRDFQWYERSDDI-BMLIUANNSA-N 418.228 4.942 10 1 HJCF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccccc1 587945588 OJPVEHGAORPMSA-HXUWFJFHSA-N 400.381 4.795 10 1 HJCF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587800180 VSRGWIBZIMVDPB-PRWKNARSSA-N 408.311 4.799 10 1 HJCF CC[C@@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n1 587079753 NASRENQZKXIFFN-LLVKDONJSA-N 404.857 4.826 10 1 HJCF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCC4CC4)cc3)C2)cc1 1772649382 NCMJEWFQJJXJKS-KBMIEXCESA-N 422.569 4.763 10 1 HJCF c1cc(N2CCCCC2)ccc1CNCCNCc1ccc(N2CCCCC2)cc1 1857541191 WSFVCJCZNNWMHY-UHFFFAOYSA-N 406.618 4.547 10 1 HJCF COc1ccc([C@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)c(OC)c1 13651953 UAZHCBHXTWVCAF-XMMPIXPASA-N 422.550 4.522 10 1 HJCF O=C(/N=N/c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccc(O)cc1 84415922 AATPPZVLYNXMFT-ZELUPATCSA-N 413.389 4.694 10 1 HJCF CN1CCN(c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)CC1 587079359 CZNXGBPWKAPOQE-IXFSTUDKSA-N 419.960 4.795 10 1 HJCF CC(C)N1CCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587764611 GIZLOFZYKSPVSC-YEJXKQKISA-N 403.339 4.983 10 1 HJCF O=C1C[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587532378 LQRQMWYSKMIQFY-RUZDIDTESA-N 402.446 4.591 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1 587706221 PIZPOSVHZFUOQI-VPTHRUTESA-N 422.191 4.773 10 1 HJCF Cc1cc2c(/N=N/C(=N)S)c(O)n(CN3CCCCC3)c2cc1Br 28521038 RDGCWHXJEXJREZ-FMQUCBEESA-N 410.341 4.809 10 1 HJCF COC(=O)c1ccc(NCc2cncn2Cc2ccc(N)cc2)cc1-c1ccccc1 40425147 ZWTWHVFMWIDMAK-UHFFFAOYSA-N 412.493 4.579 10 1 HJCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(Br)c1 45261041 WSOXIWCYAAHEON-HXUWFJFHSA-N 422.282 4.541 10 1 HJCF Cc1cc(/N=N/[C@@H](C)c2cn(C)n(-c3ccccc3)c2=O)c2cc3c(cc2n1)OCO3 169693546 DNJMSHIALNINAX-RZJDRKADSA-N 415.453 4.606 10 1 HJCF CCc1ccc(OC[C@@]2(c3ccc(O)cc3O)NCCc3ccc(F)c(C)c32)cc1 962372133 GZGZOWLVVSEVQV-VWLOTQADSA-N 407.485 4.576 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c21 587153280 XSDLKTVQMOIAAT-JKSUJKDBSA-N 400.384 4.888 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)cc2)N1 587856462 MZNKNMLDVQCYJH-ZUOKHONESA-N 421.379 4.765 10 1 HJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C)ccc12 5138905 IMBULFIMKJKFCW-UHFFFAOYSA-N 407.495 4.820 10 1 HJCF CCc1cccc(CC)c1/N=N/C(=C1/NCCN1Cc1cnc(Cl)s1)[N+](=O)[O-] 103201093 CXFSUMXYCBHHES-TVCFOCLESA-N 420.926 4.514 10 1 HJCF CS(=O)(=O)NCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847932 TZYYMJIVAUAQBR-UHFFFAOYSA-N 405.523 4.613 10 1 HJCF O=C(O)CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)s2)SC1=S 96927504 WPTGENCTANAOMD-ZROIWOOFSA-N 409.941 4.744 10 1 HJCF Nc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C(F)(F)F)c1 587095594 MBCRSWAHJIYPGX-UHFFFAOYSA-N 407.351 4.606 10 1 HJCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764243 CMCLHIPCIQKJKL-ZSEKCTLFSA-N 419.338 4.821 10 1 HJCF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2O)N1Cc1ccccc1 73242995 KAHZOTCOQHMRTH-WIOPSUGQSA-N 412.489 4.563 10 1 HJCF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CCC4)cc3)C2)cc1 1772581190 NOAYIYJCVLASHB-UQBPGWFLSA-N 422.569 4.763 10 1 HJCF CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587275393 DAZUMDJORNBMTJ-CKJXQJPGSA-N 418.453 4.783 10 1 HJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCCO4)[C@H]1CC=C[C@H]21 587277526 XPCWSMPKXZKVSK-DFFLPILJSA-N 418.453 4.767 10 1 HJCF COc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 29044914 BDUZLGUAHMCFSZ-FQEVSTJZSA-N 419.506 4.655 10 1 HJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c21 587081449 WQTCNISOZYOYEH-SFHVURJKSA-N 400.821 4.668 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2O)N1 587678892 OWYPWONKCWPUOZ-GLEZIHRCSA-N 415.100 4.680 10 1 HJCF CC1(C)[C@@H]2C[C@@H]1CC=C2Cc1cc(-c2oc3c(O)c(O)ccc3c(=O)c2O)ccc1O 2356587092 YHLSPQSTDNPICV-DOTOQJQBSA-N 420.461 4.817 10 1 HJCF CCCOc1c(C(=O)OC)c2c3c(oc2c2ccccc12)C(=O)c1ccccc1C3=O 28567971 NHXCJEMYPNRVLD-UHFFFAOYSA-N 414.413 4.937 10 1 HJCF O=[N+]([O-])c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1[N+](=O)[O-] 587080339 MADWHOMAWYBRBI-PISHQANHSA-N 411.805 4.859 10 1 HJCF CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587275395 DAZUMDJORNBMTJ-VWKPWSFCSA-N 418.453 4.783 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccnc3)ccc2O)N1 587779574 UIBZLCHLMBFGRP-LAJNKCICSA-N 413.290 4.979 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)cc2)N1 587856383 MJIBFGLWOFLMMI-RBZFPXEDSA-N 421.379 4.765 10 1 HJCF CC(C)CCn1c(O)c(/N=N\C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 6459352 ZHXRTLIKXPHLFS-VHXPQNKSSA-N 407.396 4.919 10 1 HJCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N4CCC(C)CC4)cc3)C2)cc1OC 1857546949 DMPXKVRBWCJZLR-HSZRJFAPSA-N 421.541 4.638 10 1 HJCF CC1(C)CCC[C@H]2COc3cc(O)c4c(=O)c(-c5ccc(O)c(O)c5)coc4c3C[C@H]21 14825083 BMFRBRVHLZOMCJ-WMLDXEAASA-N 422.477 4.954 10 1 HJCF biogenic CCNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 27211477 STXDEAJWJRWKPH-UHFFFAOYSA-N 406.511 4.935 10 1 HJCF C/C(=C1/SC(=S)NC1=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 96174906 ARSKYMDYHAVFFT-WJDWOHSUSA-N 402.522 4.933 10 1 HJCF CC1(C)O[C@@H]2[C@H](CN=[N+]=[N-])O[C@@H](n3c(Cl)nc4cc(Cl)c(Cl)cc43)[C@@H]2O1 27879399 VFLFJSMFKWWSAY-UMSGYPCISA-N 418.668 4.724 10 1 HJCF [N-]=[N+]=NCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 587260712 ZOVYQDSQPREPAZ-UHFFFAOYSA-N 402.094 4.896 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c(F)c2)N1 587724520 IUOCTNJSXNFUIE-FKIZINRSSA-N 407.302 4.951 10 1 HJCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)c(C)c3nc12 26848467 UKSBKKSJKVPLRU-UHFFFAOYSA-N 406.511 4.702 10 1 HJCF CC(=O)c1cc(C)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587820818 FMMCQXSHMLOGBB-BIBXISHDSA-N 406.295 4.603 10 1 HJCF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c2c1CCC2 587826322 AFSYVDCMKDDUMM-QKVFXAPYSA-N 404.323 4.889 10 1 HJCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2)cc(C)c1O 103283642 STBJKDXYORRTEM-GHVJWSGMSA-N 400.435 4.759 10 1 HJCF CSc1cccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)c2C)c1 963491428 NQJAWUZHTWFYBC-GMAHTHKFSA-N 422.550 4.518 10 1 HJCF OCc1c(-c2ccccc2)oc2ccc(O)c(CN3CCC(N4CCCCC4)CC3)c12 144292211 FQLYCFZDLGKAOP-UHFFFAOYSA-N 420.553 4.748 10 1 HJCF Cc1ccc(C(=O)n2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 64446830 NMQOIIFZXHBPIN-VWLOTQADSA-N 421.500 4.785 10 1 HJCF CC1(C)[C@H]2CC=C(Cc3cc(-c4oc5c(O)c(O)ccc5c(=O)c4O)ccc3O)[C@@H]1C2 238761879 YHLSPQSTDNPICV-RDJZCZTQSA-N 420.461 4.817 10 1 HJCF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Cl 587698567 YQSUBCBZOBBVOS-VPTHRUTESA-N 400.675 4.579 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(Cl)cc2O)N1 587722381 YOCCDFCXXDYDRW-WNWIJWBNSA-N 402.666 4.884 10 1 HJCF c1cc(N2CCCC2)ccc1CNCCCCNCc1ccc(N2CCCC2)cc1 1857618923 QTWMVYMKMNSOSG-UHFFFAOYSA-N 406.618 4.547 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2O)N1 587679318 MWIJMIOUQJPTGO-PWJLMRLQSA-N 415.100 4.680 10 1 HJCF CCCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149636519 WDIONMHCRYMHIB-LJQANCHMSA-N 406.570 4.927 10 1 HJCF COc1cc(NS(C)(=O)=O)cc(OC)c1Nc1c2ccccc2nc2ccccc12 29389592 DXABLRGASDXUSP-UHFFFAOYSA-N 423.494 4.520 10 1 HJCF C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1)c1ccccc1 40863290 RRMUHRIOLPPZTC-SQJMNOBHSA-N 416.565 4.730 10 1 HJCF O=c1c2cn[nH]c2c2ccc(-c3ccc(C(F)(F)F)nc3)cc2n1CC(F)(F)F 205519280 STQYVSWNNJRJPL-UHFFFAOYSA-N 412.293 4.521 10 1 HJCF Cn1c(O)c(N=NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 253977411 IYIVYJUXHCHGOK-UHFFFAOYSA-N 401.348 4.563 10 1 HJCF CCN1c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2C[C@@H]1C 587757688 BEUSWLBHEOPQLT-BHVCSQLQSA-N 403.339 4.983 10 1 HJCF CCN(CC)c1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 587923685 DSCUKRUNVAFROL-UHFFFAOYSA-N 415.584 4.719 10 1 HJCF Oc1ccc([C@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)cc1Cl 27106047 ZPPPIUGZMNLESI-MRXNPFEDSA-N 420.292 4.893 10 1 HJCF CSc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 28711230 AMTSSVBONDVENH-UHFFFAOYSA-N 421.438 4.543 10 1 HJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2)cc1 587196334 SUOBNFWXAGRZDX-UHFFFAOYSA-N 409.457 4.687 10 1 HJCF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c2c1CCC2 587832653 KIQNWYWZPVPTIR-XUSGNXJCSA-N 404.323 4.889 10 1 HJCF Cc1c(C)c2c(c(Cc3noc(/C=C/c4ccc(O)c(O)c4)n3)c1O)CCC(C)(C)O2 49803287 ROWSTYZCSFILFC-SOFGYWHQSA-N 422.481 4.668 10 1 HJCF Oc1ccc2ncccc2c1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963954 XKIQKBQINHUEHN-OAQYLSRUSA-N 414.427 4.700 10 1 HJCF CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(/C=C/c2ccccc2)[n+]3C)cc1 5596310 JJMFMXWORKZHJU-QGOAFFKASA-N 404.537 4.701 10 1 HJCF O=C1CCN(Cc2ccccc2O)C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 72114696 CVKIVNDRRBPTDE-JOCHJYFZSA-N 407.460 4.894 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)(F)F)c2O)N1 587709724 CFJXOWYVYZVGAF-VXJOIVPMSA-N 404.201 4.936 10 1 HJCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)N2 587079158 AITKSRULBLITJL-IXFSTUDKSA-N 420.944 4.875 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)(F)F)c2O)N1 587710712 HOQCJDXDYAQNRD-GLEZIHRCSA-N 404.201 4.936 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCC3)cc2O)N1 587766365 NFSMEEZMGZWVNU-LRTDBIEQSA-N 419.338 4.692 10 1 HJCF COc1ccc(Cn2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)c2)cc1 1772617151 XSDYUKYCJSHYTK-UHFFFAOYSA-N 403.434 4.701 10 1 HJCF O=C(CCc1ccccc1)Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103265435 YSEGIONXSWPFBD-UHFFFAOYSA-N 412.470 4.590 10 1 HJCF COc1ccc(/N=N\c2cccc(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2)cc1 1857543116 ITCOZRYRTPXZEE-IZHYLOQSSA-N 402.414 4.643 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(O)c2O)N1 587820485 DMEITQXZRNPOKP-XTZNXHDOSA-N 408.311 4.921 10 1 HJCF COc1ccc(CN2CCc3c(cc(O)c(O)c3Cl)[C@H](c3ccccc3)C2)cc1 27107022 OJEMRAPRFVDORZ-NRFANRHFSA-N 409.913 4.950 10 1 HJCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O 45496435 ZAQGWRZUYXUFLS-HXUWFJFHSA-N 403.507 4.954 10 1 HJCF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 587014242 JVBUWPDYMKLWGT-LBPRGKRZSA-N 417.490 4.868 10 1 HJCF CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 587192989 OBTHHHJCHUAJJM-UHFFFAOYSA-N 403.326 4.696 10 1 HJCF Cc1ccc(C(=O)n2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 64446828 NMQOIIFZXHBPIN-RUZDIDTESA-N 421.500 4.785 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO 95797652 RALVQQBRBHDDHS-TUSQITKMSA-N 408.586 4.925 10 1 HJCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587738557 BEXYXTORUIBUNY-FKIZINRSSA-N 407.327 4.764 10 1 HJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1Cl 73274732 NPYLENCCARYQOJ-UHFFFAOYSA-N 417.292 4.876 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)cc1 587041380 NCQHWRVXBAXHFW-YADHBBJMSA-N 402.523 4.884 10 1 HJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C)ccc12 29470774 ZUIDLWXDQHZRNM-UHFFFAOYSA-N 406.511 4.853 10 1 HJCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3Cl)cc(O)c21 653849926 XHNRRXGQQXDWLZ-SUQGKYDKSA-N 420.848 4.664 10 1 HJCF COc1ccc(-c2cc3c(n2-c2cc(O)cc(C(=O)O)c2)CC(C)(C)CC3=O)cc1 587924961 CQPZHPNAAZGHHT-UHFFFAOYSA-N 405.450 4.712 10 1 HJCF C[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(OC(=O)c3ccc(O)cc3)cc2C[C@H]1C 2356316263 PLKYOINBEDTBHH-CDEUHXGRSA-N 420.461 4.688 10 1 HJCF C[C@@]1(CCc2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351708 JIAFANBVXFQJBV-UPVQGACJSA-N 408.425 4.693 10 1 HJCF O=[N+]([O-])c1ccc(NN/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c([N+](=O)[O-])c1 5801118 NDXHIBJFEHJULU-UHFFFAOYSA-N 418.373 4.662 10 1 HJCF CCOc1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC)cc4)CC3)c2c1 13582413 GPUAJZMBIFTLOG-UHFFFAOYSA-N 407.558 4.720 10 1 HJCF Cc1c(O)c(O)c(Oc2cc(O)c(C)c3c2C(=O)O[C@H](C)[C@@H]3C)c2c1[C@H](C)[C@H](C)O2 2356718621 AYBJCDJOJFEQJW-GAQJKIJGSA-N 414.454 4.759 10 1 HJCF O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl 953588 FXXMVOQVYPYDOI-JCGVRSQUSA-N 403.265 4.784 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO 95878528 VTLWRJUGSLLCJQ-OPXMRZJTSA-N 420.528 4.797 10 1 HJCF CN(C)c1ccc(/C=C/c2cc(=O)c3cc([125I])ccc3o2)cc1 101420321 NIJAGAILBKZBCM-LMBGGOERSA-N 415.247 4.634 10 1 HJCF CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1O)N(c1ccc(-c3ccon3)cc1)C2=O 169696859 HMGGXXSYTOSHMX-OAQYLSRUSA-N 414.465 4.818 10 1 HJCF O=C1Sc2ccc(OS(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23 66077811 RHZXQMIVPBAHBH-UHFFFAOYSA-N 423.471 4.680 10 1 HJCF Nc1ccc(Oc2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)cc1 586983350 BDCCGKIPROMHDS-GOSISDBHSA-N 423.314 4.942 10 1 HJCF CCCc1c(O)ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587822611 PSDRPXQEKKZUAO-BIBXISHDSA-N 408.311 4.750 10 1 HJCF CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1O)N(c1ccc(-c3ccon3)cc1)C2=O 96177115 HMGGXXSYTOSHMX-NRFANRHFSA-N 414.465 4.818 10 1 HJCF CCOc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587772306 ZRPCXMJTXMAZMD-SPLOXXLWSA-N 419.338 4.627 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cccc(O)c32)N1 587829897 CVWBHLKEUVECNU-PRWKNARSSA-N 406.295 4.633 10 1 HJCF O=c1c(Cl)c(/N=N/Cc2ccc(Br)cc2)cnn1-c1ccccc1 169692235 WWTCRBZIUDQNCG-LSDHQDQOSA-N 403.667 4.932 10 1 HJCF O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)cc(O)c3ccccc23)c2ccccc12 13864566 RNJMQYRNUCHBAX-QURGRASLSA-N 410.407 4.772 10 1 HJCF Nc1ccc(Oc2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)cc1 587084597 DIRMFAWBTFPSDT-UHFFFAOYSA-N 420.904 4.765 10 1 HJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCc3ccccc3C2)c1 18010001 ZKAMPIRQBBKSNJ-BYYHNAKLSA-N 407.909 4.581 10 1 HJCF Cc1c(CCOCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 653716049 XOAJBBHBAMPDOU-UHFFFAOYSA-N 419.493 4.524 10 1 HJCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 26847488 DYFVNRFDWYXZOO-UHFFFAOYSA-N 422.466 4.720 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2O)N1 587678894 OWYPWONKCWPUOZ-VXJOIVPMSA-N 415.100 4.680 10 1 HJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C(=O)O)cc4C)c1C)[C@@H](C2)C3=O 587430658 KPUYYMFMIYCLBV-CYFREDJKSA-N 417.461 4.598 10 1 HJCF O=C1c2ccccc2C(=O)c2c1cccc2C1=CCN(C(=O)Nc2ccccc2)CC1 1857539054 NQROXOOPKZBFNZ-UHFFFAOYSA-N 408.457 4.783 10 1 HJCF COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)cc1 29045514 UJMMRNAGYQAGBJ-NRFANRHFSA-N 403.507 4.949 10 1 HJCF CCOc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587769757 QAZZHRSNZSDYFK-QKKBWIMNSA-N 419.338 4.627 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2Br)N1 587679402 QPTMAXGHVWVJFL-PWJLMRLQSA-N 415.100 4.680 10 1 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)F)c2O)N1 587717824 GRWXRWYTRQCBIM-ANRSDYALSA-N 420.200 4.816 10 1 HJCF CCNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772571296 LTSIWUNXSOEBFO-MHECFPHRSA-N 423.557 4.513 10 1 HJCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 142229163 OKLQMRYJMCLWBK-HNNXBMFYSA-N 402.922 4.594 10 1 HJCF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccc(O)cc1)c1ccccc1O 962378755 ZNBBVYGMXYEYAW-VWLOTQADSA-N 416.546 4.848 10 1 HJCF COc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C 587575899 GUTZLTRJWRYWBW-WIOPSUGQSA-N 415.445 4.904 10 1 HJCF Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)N(C)C)cc2)C1 1772653261 QDQOTBCNDUKBQA-FDDCHVKYSA-N 423.557 4.526 10 1 HJCF Cc1cccc(NC(=O)Cn2c(O)c(N=NC(=O)c3ccncc3)c3ccccc32)c1 299812911 NXDGQAHVKZCPEX-UHFFFAOYSA-N 413.437 4.613 10 1 HJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(O)cccc2F)(C(F)(F)F)N1 587706222 PIZPOSVHZFUOQI-ZKANADHPSA-N 422.191 4.773 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(Cl)cc2O)N1 587722618 YXUXAVKHPNJNMI-CQLKUDPESA-N 402.666 4.884 10 1 HJCF Cc1nc(-c2c[nH]cc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1 587021402 MQNXYLZWGRCOBV-UHFFFAOYSA-N 410.458 4.765 10 1 HJCF COc1ccc(-n2c(C)cc([C@H]3NCCc4cc5cccc(OC)c5nc43)c2C)cc1 963065889 JXWFJARYSZLKEF-AREMUKBSSA-N 413.521 4.895 10 1 HJCF COc1cccc(C(=O)N[C@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)c1 37867235 DTSOCBNENZVCSH-IBGZPJMESA-N 408.841 4.715 10 1 HJCF COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)ccc1O 29044747 WOEUYNMHIPCGSU-IBGZPJMESA-N 419.506 4.655 10 1 HJCF O=C(Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21)Nc1ccccc1 253951048 BVZSPCSHPWPXPV-UHFFFAOYSA-N 414.421 4.615 10 1 HJCF COc1cccc2cc3c(nc12)[C@@H](c1cc(OCc2ccccc2)ccc1O)NCC3 963060747 WRQALLLOHVFAQW-AREMUKBSSA-N 412.489 4.763 10 1 HJCF CCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(Cl)c1 1772637950 LYDMMXDXJXSJOZ-KKSFZXQISA-N 416.949 4.984 10 1 HJCF C[C@H]1[C@H](C)Cc2cc(OC(=O)c3ccc(O)cc3)c(O)cc2[C@H]1c1ccc(O)c(O)c1 2356316264 PLKYOINBEDTBHH-QWJLCTJOSA-N 420.461 4.688 10 1 HJCF CCOc1ccc(Nc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219741514 JFCWQEWHQNYHIX-UHFFFAOYSA-N 401.447 4.609 10 1 HJCF Cc1cnc(SC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855767 WADGDIZZHLGADR-JDNHERCYSA-N 401.370 4.895 10 1 HJCF CC(C)N1CCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587769690 ZJPJVMQHICNYFV-YEJXKQKISA-N 403.339 4.983 10 1 HJCF COc1cc2c(cc1C(=O)Nc1ccc(N)cc1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 1772600992 ZAGGBNCTCLYJGK-WRALFONMSA-N 408.542 4.531 10 1 HJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccco2)cc1 72123483 HGVNEEZQUKLDTA-UHFFFAOYSA-N 414.461 4.829 10 1 HJCF O=C(c1ccccc1)c1cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc2o1 103262313 JHCVIKZBDUECSH-UHFFFAOYSA-N 418.537 4.820 10 1 HJCF Nc1ccc(Oc2ccc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3c2)cc1 587075022 DJHVDGOUKOEZFG-UHFFFAOYSA-N 402.845 4.839 10 1 HJCF COC(=O)c1cccc(Cn2c(Cl)c(C/N=N/c3ccccc3C)sc2=O)c1 169691206 ZDDMHKWBTJKLLE-GHVJWSGMSA-N 415.902 4.990 10 1 HJCF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587241735 HZBONSUSCLRIMP-UHFFFAOYSA-N 423.472 4.990 10 1 HJCF CCCc1c(O)ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587822614 PSDRPXQEKKZUAO-YBTHPKLGSA-N 408.311 4.750 10 1 HJCF Cc1ccc(C(=O)n2ncc(-c3ccccc3)c2-c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 49125864 JYULVUIUQPCLDL-UHFFFAOYSA-N 415.405 4.533 10 1 HJCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N\c4ccccc4)c3F)cc12 1857583754 LYEHMUUHFRMLQJ-QPLCGJKRSA-N 408.368 4.912 10 1 HJCF O=C1CCC(c2ccccc2)(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 586877762 NXWFZNIBPWUWIF-UHFFFAOYSA-N 420.468 4.768 10 1 HJCF CCn1c(O)c(/N=N\C(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 8692360 LKAHDJSAFJXCCK-VHXPQNKSSA-N 420.498 4.712 10 1 HJCF CCCCNC(=O)Oc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)[C@@H]1N2C 169341051 QWMLKUNOQCZIKT-HSZRJFAPSA-N 404.514 4.563 10 1 HJCF CCOc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587769759 QAZZHRSNZSDYFK-SZNDQCEHSA-N 419.338 4.627 10 1 HJCF COc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C 587575897 GUTZLTRJWRYWBW-RDGATRHJSA-N 415.445 4.904 10 1 HJCF CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 96272451 YPEMPEGPBFGRNH-OAQYLSRUSA-N 400.522 4.507 10 1 HJCF COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)N=C1C 103541734 MPIJMGJLOZKUNQ-RQZCQDPDSA-N 400.862 4.557 10 1 HJCF COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O 587786835 YGNQRRLGUALFSI-NSCUHMNNSA-N 400.740 4.705 10 1 HJCF O=c1c(N=Nc2ccc(O)cc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1 299849241 BUEDXYIDAXQIJX-UHFFFAOYSA-N 401.382 4.862 10 1 HJCF CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587391675 WYNPDSMTLAGPJG-QHCPKHFHSA-N 418.493 4.868 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2O)N1 587678889 OWYPWONKCWPUOZ-AYVTZFPOSA-N 415.100 4.680 10 1 HJCF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587796469 KLLOTJPDZLGZDB-GIPWTMENSA-N 408.311 4.799 10 1 HJCF O=C(NCc1cc(F)c(N2[C@H]3CCC[C@@H]2CC3)c(F)c1)Nc1cccc2[nH]ncc12 14973552 FPQHPUDYHCLCTO-GASCZTMLSA-N 411.456 4.684 10 1 HJCF CCOC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587275394 DAZUMDJORNBMTJ-GCKMJXCFSA-N 418.453 4.783 10 1 HJCF COc1ccc2c(c1)CCC=C2Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587934810 OMUSPODRGFGUJM-UHFFFAOYSA-N 420.468 4.919 10 1 HJCF COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587695795 SASNAZAHNMPWAQ-CQLKUDPESA-N 400.675 4.579 10 1 HJCF O=c1cc(-c2cc(O)c(O)cc2Cc2cccc(Cl)c2)oc2cc(O)cc(O)c12 653833438 QLNHNAREJPBKTG-UHFFFAOYSA-N 410.809 4.527 10 1 HJCF Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1 4103260 FIPGYNWVOVQRRX-UHFFFAOYSA-N 410.524 4.687 10 3 HJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2O)N1 587718266 HYTTZMLASDBAEV-BCTVWOGZSA-N 420.200 4.816 10 1 HJCF COCC/N=N/Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13527497 BXSIIPHCRZNAEI-UHFFFAOYSA-N 401.268 4.561 10 1 HJCF O=C1/C(=C\Nc2cc(-c3ccccc3)[nH]n2)C(c2ccccc2)=NN1c1ccccc1 72175401 XOPNFJAMBFWENE-FXBPSFAMSA-N 405.461 4.824 10 1 HJCF COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(OC(C)=O)CC2)cc1 72180504 APJBSGGHKSRDDG-RUZDIDTESA-N 405.494 4.671 10 1 HJCF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587065816 ZXNFTVCFRRZPCR-UHFFFAOYSA-N 423.856 4.991 10 1 HJCF CCn1c(O)c(N=NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 253951841 LKAHDJSAFJXCCK-UHFFFAOYSA-N 420.498 4.712 10 1 HJCF COc1ccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)cc1-n1c(C)ccc1C 653724740 IRIYDKKDAGSZJR-SFHVURJKSA-N 407.466 4.632 10 1 HJCF COc1c(CC=C(C)C)c2c(c(O)c1C(=O)C(=O)c1ccc(O)cc1)C=CC(C)(C)O2 14488237 BDZATRLHDPPBDP-UHFFFAOYSA-N 422.477 4.865 10 1 HJCF biogenic COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587693646 NIHCUEPRCILWCV-QPFGOUBPSA-N 400.675 4.579 10 1 HJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(O)cccc2F)(C(F)(F)F)N1 587706457 QDHFCICXGUTEND-PWJLMRLQSA-N 422.191 4.773 10 1 HJCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO 95878409 NWRPOEUPEYKEEP-GPUOULLFSA-N 423.601 4.860 10 1 HJCF COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388452 BWDHHSBZWJUTPY-JOCHJYFZSA-N 421.453 4.608 10 1 HJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3cccnc3)ccc2O)N1 587779576 UIBZLCHLMBFGRP-XUSGNXJCSA-N 413.290 4.979 10 1 HJCF CN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40847915 NBZYZTVBQAMUSF-VWLOTQADSA-N 416.565 4.511 10 1 HJCF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587048782 AHBDPSFKUOFUSY-UHFFFAOYSA-N 415.836 4.617 10 1 HJCF Cc1cc(C=Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)c([N+](=O)[O-])cc1[N+](=O)[O-] 2356854861 LBVWQCMBLVLGJT-UHFFFAOYSA-N 414.373 4.757 10 1 HJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1OC 587276562 LXYMBUXWXDDFCW-ZMOMAAQPSA-N 406.442 4.623 10 1 HJCF Cc1cc(CNCCCCCCCCNC(=N)N)c(C)n1-c1ccc(Cl)cc1 1857600004 SPHOGHVQRUVVOZ-UHFFFAOYSA-N 404.002 4.661 10 1 HJCF